SUPPORTING INFORMATION
|
|
- Νικηφόρος Κουρμούλης
- 5 χρόνια πριν
- Προβολές:
Transcript
1 Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2018 SUPPORTING INFORMATION Bulky cationic ß-diketiminate magnesium complexes Alexander Friedrich, Jürgen Pahl, Holger Elsen and Sjoerd Harder* Inorganic and Organometallic Chemistry, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstraße 1, Erlangen, Germany. Contents 1. Supporting Experimental data S2 1.1 NMR spectra of synthesized compounds S2 1.2 Single crystal X-ray diffraction S12 2. DFT calculations S16 3. References S24
2 1. Supporting Experimental data 1.1. NMR spectra of synthesized compounds Spectra of [( tbu BDI)Mg benzene+ + [B(C 6 F 5 ) 4 ] Figure S1: 1 H NMR spectrum of [( tbu BDI)Mg benzene] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br. S2
3 Figure S2: 13 C{ 1 H} NMR spectrum of [( tbu BDI)Mg benzene] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br Figure S3: 19 F NMR spectrum of [( tbu BDI)Mg benzene] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br S3
4 Figure S4: 11 B NMR spectrum of [( tbu BDI)Mg benzene] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br Figure S5: 1 H NMR spectrum of [( tbu BDI)Mg (THF)] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br. Resonances marked with a star can be assigned to a species with two coordinated THF ligands (as has been proven by subsequent addition of a second eq of THF) S4
5 Figure S6: 1 D Selective Gradient NOESY NMR spectrum of [( tbu BDI)Mg (THF)] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br. Irradiation at the THF OCH 2 signal (2.87 ppm) gave strong enlargement of the ipr CH signal at 3.02 ppm. Figure S5: 1 H NMR spectrum of [( tbu BDI)Mg] + [B(C 6 F 5 ) 4 ] in THF-d 8 S5
6 Spectra of [( tbu BDI)Mg toluene+ + [B(C 6 F 5 ) 4 ] Figure S8: 1 H NMR spectrum of [( tbu BDI)Mg toluene] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br Figure S9: 13 C{ 1 H} NMR spectrum of [( tbu BDI)Mg toluene] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br S6
7 Figure S10: 11 B NMR spectrum of [( tbu BDI)Mg toluene] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br Figure S11: 19 F NMR spectrum of [( tbu BDI)Mg toluene] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br S7
8 Spectra of [( tbu BDI)Mg m-xylene] + [B(C 6 F 5 ) 4 ] Figure S12: 1 H NMR spectrum of [( tbu BDI)Mg m-xylene] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br. Figure S13: 13 C{ 1 H} NMR spectrum of [( tbu BDI)Mg m-xylene] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br. S8
9 Figure S14: 19 F NMR spectrum of [( tbu BDI)Mg m-xylene] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br. Figure S15: 11 B NMR spectrum of [( tbu BDI)Mg m-xylene] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br. S9
10 Spectra of [( tbu BDI)Mg (PhCl)+ + [B(C 6 F 5 ) 4 ] Figure S16: 1 H NMR spectrum of [( tbu BDI)Mg (PhCl)] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br. Figure S17: 13 C{ 1 H} NMR spectrum of [( tbu BDI)Mg (PhCl)] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br. S10
11 Figure S18: 19 F NMR spectrum of [( tbu BDI)Mg (PhCl)] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br. Figure S19: 11 B NMR spectrum of [( tbu BDI)Mg (PhCl)] + [B(C 6 F 5 ) 4 ] in C 6 D 5 Br. S11
12 1.2 Single Crystal X-Ray Diffraction Single crystal X ray diffraction data for all compounds were collected on a SuperNova diffractometer (Rigaku Oxford diffraction) with Atlas S2 detector using a CuK α or MoK α microfocus source. All crystals were maintained at 100 K during data collection. Using Olex2 S1 the structures were solved by Direct Methods (ShelXT) S2 and refined with ShelXL S3 using Least Squares minimization. The hydrogen atoms have been placed on calculated positions and were refined isotropically in a riding model. All presented structures had the complete molecule in their respective asymmetric units without any cocrystallized solvents. For the solution of [( tbu BDI)Mg (PhCl)] + [B(C 6 F 5 ) 4 ] five reflexes were omitted for error minimization. The crystal structure of [( tbu BDI)Mg toluene] + [B(C 6 F 5 ) 4 ] was of poor quality but we give the cell parameters for identification: a = (2) Å, b = (3) Å, c = (3) Å, = (14), = (13), = (14), V = (16) Å 3, space group: P-1. S12
13 Table S1. Crystal data. Identification code [( tbu BDI)Mg benzene] + [( tbu BDI)Mg m xylene] + [( tbu BDI)Mg PhCl] + [B(C 6 F 5 ) 4 ] [B(C 6 F 5 ) 4 ] [B(C 6 F 5 ) 4 ] Empirical formula C 65 H 59 BF 20 MgN 2 C 67 H 63 BF 20 MgN 2 C 65 H 58 BClF 20 MgN 2 Formula weight Temperature/K (10) 99.98(16) 100 Crystal system monoclinic monoclinic monoclinic Space group P2 1 /c P2 1 /c P2 1 /c a/å (4) (3) (2) b/å (5) (3) (2) c/å (4) (3) (2) α/ β/ (2) (14) (10) γ/ Volume/Å (2) (16) (12) Z ρ calc g/cm μ/mm F(000) Crystal size/mm Crystal color colorless colorless colorless Radiation CuKα (λ = ) CuKα (λ = ) CuKα (λ = ) 2Θ range for data collection/ Index ranges to to h 21, -15 k 21, -23 l h 20, -21 k 19, -14 l to h 22, -21 k 21, - 22 l 22 Reflections collected Independent reflections [R int = , R sigma = ] [R int = , R sigma = ] [R int = , R sigma = ] Data/restraints/parameters 11638/0/ /0/ /0/829 Goodness-of-fit on F Final R indexes *I>=2σ (I)+ Final R indexes [all data] R 1 = , wr 2 = R 1 = , wr 2 = R 1 = , wr 2 = R 1 = , wr 2 = Largest diff. peak/hole / e Å / /-0.54 R 1 = , wr 2 = R 1 = , wr 2 = /-0.36 S13
14 Figure S20: ORTEP representation of [( tbu BDI)Mg benzene] + [B(C 6 F 5 ) 4 ] (probability level 50%). Hydrogen atoms were omitted for clarity. Figure S21: ORTEP representation of [( tbu BDI)Mg m-xylene] + [B(C 6 F 5 ) 4 ] (probability level 50%). Hydrogen atoms were omitted for clarity. S14
15 Figure S22: ORTEP representation of [( tbu BDI)Mg (PhCl)] + [B(C 6 F 5 ) 4 ] (probability level 50%). Hydrogen atoms were emitted for clarity. S15
16 2. DFT calculations General All calculations were carried out using Gaussian 16 A. [S4] All methods were used as implemented. All structures were fully optimized on a ωb97xd/6-31+g** level of theory. In order to determine zero point energies and to characterize the structures as minima frequency analysis has been applied. [S5-8] Energies were calculated on ωb97xd/6-311+g** level of theory. Charges were calculated via NBO analysis. [S9] Molecules were drawn and evaluated using Molecule V2.3. [S10] Topological analyses were carried out using AIMAll V17 using the wavefunctions of the geometry optimizations. [S11-12] Table S2. Complexation energies of cations with benzene calculated at the ωb97xd/6-311+g**//ωb97xd/6-31+g** level. H and G (298 K, 1 atm) given in kcal/mol. Reaction de dh dg (298K, 1 atm) ( Me BDI)Mg + + C 6 H 6 ( Me BDI)Mg + C 6 H ( tbu BDI)Mg + + C 6 H 6 ( tbu BDI)Mg + C 6 H [( Me BDI)Mg + ] + C 6 H 6 [( Me BDI)Mg + C 6 H 6 ] a a [B(C 6 F 5 ) 4 ] [B(C 6 F 5 ) 4 ] a Calculated at ωb97xd/6-311+g**//6-31g*. [S13] XYZ Coordinates 103 tbu C6H6 Mg N N C C C C C H C C C C C C H C S16
17 C H C H C H C H C H H H C H C H H H C H H H C H C H C H H H C H H H C H C H H H C H H H C H C H C H H H S17
18 C H H H C H C H H H C H C H H H C H C H C H C H H H C H H H C H H H tbu Mg N N C C C C C H C C C C C C S18
19 H C C H C H C H C H C H H H C H C H H H C H H H C H C H C H H H C H H H C H C H H H C H H H C H C H H H S19
20 C H H H C H H H C H H H C H H H C H H H C H H H BDI C6H6 C Mg N N C C C C C C C C C C C C C C C C C H H H H S20
21 H H H H C C H H H H C C H H C C C C C H H H H H C C H C H C C H C H C C H H H H H H H H H H H H H H H H S21
22 H H H H H H H H BDI Mg N N C C C C H C C C C H C C C H C H C H C H C H C H H H C H C H H H C H C H C H S22
23 H H C H H H C H C H H H C H H H C H H H C H H H C H H H C H H H S23
24 3. References [S1] O. V. Dolomanov, L. J. Bourhis, R. J. Gildea; J. A. K. Howard, H. Puschmann, J. Appl. Cryst., 2009, 42, [S2] G. M. Sheldrick, Acta Cryst. A, 2015, 71, 3 8. [S3] G. M. Sheldrick, Acta Cryst. C, 2015, 71, 3 8. [S4] M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, D. J. Fox, Gaussian 16 Rev. A.03, Wallingford CT, [S5] J.-D. Chai, M. Head-Gordon, Phys. Chem. Chem. Phys., 2008, 10, [S6] W. J. Hehre, L. Radom, P. v. R. Schleyer, J. A. Pople, Ab Initio Molecular Orbital Theory by W. J. Hehre, L. Radom, P. v. R. Schleyer, and J. A. Pople, John Wiley, New York. [S7] T. Clark, J. Chandrasekhar, G. W. Spitznagel, P. v. R. Schleyer, J. Comp. Chem., 1983, 4, [S8] R. C. Binning, L. A. Curtiss, J. Comput. Chem., 1990, 11, [S9] A. E. Reed, R. B. Weinstock, F. Weinhold, J. Chem. Phys., 1985, 83, [S10] N. van Eikema Hommes, Molecule, Erlangen, [S11] R. F. W. Bader, Chem. Rev., 1991, 91, [S12] T. A. Keith, AIMAll (Version ), TK Gristmill Software, Overland Park KS USA, [S13] J. Pahl, H. Elsen, A. Friedrich, S. Harder, Chem. Commun., 2018, 54, S24
Supporting Information. DFT Study of Pd(0)-Promoted Intermolecular C H Amination with. O-Benzoyl Hydroxylamines. List of Contents
Supporting Information DFT Study of Pd(0)-Promoted Intermolecular C H Amination with O-Benzoyl Hydroxylamines Yunfei Zhou and Xiaoguang Bao* College of Chemistry, Chemical Engineering and Materials Science,
Διαβάστε περισσότεραStructural Expression of Exo-Anomeric Effect
Supporting Information for Structural Expression of Exo-Anomeric Effect Elena R. Alonso, Isabel Peña, Carlos Cabezas, and José L. Alonso* Contents Table S1: Transition frequencies of conformer cc-β- 4
Διαβάστε περισσότεραElectronic Supplementary Information
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2015 Electronic Supplementary Information to the paper Theoretical Insights into the Separation
Διαβάστε περισσότεραEthyl Nitroacetate in Aza-Henry Addition on Trifluoromethyl Aldimines: A Solvent-Free Procedure To Obtain Chiral Trifluoromethyl α,β-diamino Esters
Supporting Information Ethyl Nitroacetate in Aza-Henry Addition on Trifluoromethyl Aldimines: A Solvent-Free Procedure To Obtain Chiral Trifluoromethyl α,β-diamino Esters Luca Parise, Alessia Pelagalli,
Διαβάστε περισσότεραStriking Difference between Succinimidomethyl and Phthalimidomethyl Radicals in Conjugate Addition to Alkylidenemalonate Initiated by Dimethylzinc
Striking Difference between Succinimidomethyl and Phthalimidomethyl Radicals in Conjugate Addition to Alkylidenemalonate Initiated by Dimethylzinc Ken-ichi Yamada*, Yusuke Matsumoto, Shintaro Fujii, Takehito
Διαβάστε περισσότεραSupporting Information for:
Electronic Supplementary Material (ESI) for Chemical Science. This journal is The Royal Society of Chemistry 2018 Supporting Information for: Cation p interactions in protein-ligand binding: theory and
Διαβάστε περισσότεραElectronic Supplementary Information (ESI)
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information (ESI) CPh 3 as a functional group in P-heterocyclic
Διαβάστε περισσότεραSyntheses and Characterizations of Molecular Hexagons and Rhomboids and Subsequent Encapsulation of Keggin-Type Polyoxometalates by Molecular Hexagons
Supporting Information for Syntheses and Characterizations of Molecular Hexagons and Rhomboids and Subsequent Encapsulation of Keggin-Type Polyoxometalates by Molecular Hexagons Kazuhiro Uehara, Takamichi
Διαβάστε περισσότεραRhodium-Catalyzed Direct Bis-cyanation of. Arylimidazo[1,2-α]pyridine via Double C-H Activation
Supporting Information Rhodium-Catalyzed Direct Bis-cyanation of Arylimidazo[1,2-α]pyridine via Double C-H Activation Xinju Zhu, Xiao-Jing Shen, Zi-Yao Tian, Shuai Lu, Lu-Lu Tian, Wen-Bo Liu, Bing Song,*
Διαβάστε περισσότεραSupporting Information. Fluorinated Thiophene-Based Synthons: Polymerization of 1,4-Dialkoxybenzene
Supporting Information Fluorinated Thiophene-Based Synthons: Polymerization of 1,4-Dialkoxybenzene and Fluoro-Dithieno-2,1,3-benzothiadiazole by Direct Heteroarylation Carl Roy, 1 Thomas Bura, 1, Serge
Διαβάστε περισσότεραSupporting Information
One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine Alexander V. Aksenov,* Dmitrii A. Aksenov, Naila A. Orazova, Nicolai A. Aksenov, Georgii D. Griaznov, Annelise
Διαβάστε περισσότεραBifunctional Water Activation for Catalytic Hydration of Organonitriles
Supporting Information (16 pages including the cover page) Bifunctional Water Activation for Catalytic Hydration of Organonitriles Prosenjit Daw, Arup Sinha, S. M. Wahidur Rahaman, Shrabani Dinda and Jitendra
Διαβάστε περισσότεραAlkyl-functionalization of 3,5-bis(2-pyridyl)-1,2,4,6- thiatriazine
Electronic Supplementary Material (ESI) for New Journal of Chemistry. This journal is The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2016 Electronic Supporting Information
Διαβάστε περισσότεραElectronic Supplementary Information
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2017 Electronic Supplementary Information Hydrolysis of cis- and transplatin: structure and reactivity
Διαβάστε περισσότεραSupporting Information
Supporting Information Tris(pyrazolyl)methanides of the Alkaline Earth Metals - Influence of the Substitution Pattern on Stability and Degradation Christoph Müller, Alexander Koch, Helmar Görls, Sven Krieck,
Διαβάστε περισσότεραSupporting Information for
Supporting Information for Hydrogen-Bridged Digermyl and Germylsilyl Cations N. Kordts, C. Borner, R. Panisch, W. Saak, T. Müller* Contents. 1. Computational Details 2. IR Spectroscopic Results 3. NMR-Spectroscopic
Διαβάστε περισσότεραSupporting Information. A single probe to sense Al(III) colorimetrically and. Cd(II) by turn-on fluorescence in physiological
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2015 Supporting Information A single probe to sense Al(III) colorimetrically and Cd(II) by
Διαβάστε περισσότεραPhotostimulated Reduction of Nitriles by SmI 2. Supporting information
Photostimulated Reduction of Nitriles by SmI 2 Chintada Nageswara Rao and Shmaryahu Hoz * Department of Chemistry, Bar-Ilan University, Ramat-Gan 52900, Israel E-mail: shoz@mail.biu.ac.il Supporting information
Διαβάστε περισσότεραElectronic Supplementary Material (ESI) for Chemical Communications This journal is The Royal Society of Chemistry 2013
General. All manipulations were carried out under an inert atmosphere of dry nitrogen using standard Schlenk techniques or in an inert-atmosphere glove-box. Solvents were dried form the appropriate drying
Διαβάστε περισσότεραDiels-Alder reaction of acenes with singlet and triplet oxygen - theoretical study of two-state reactivity
Supporting Information Diels-Alder reaction of acenes with singlet and triplet oxygen - theoretical study of two-state reactivity A. Ravikumar Reddy and Michael Bendikov* Computational details: Density
Διαβάστε περισσότεραSupporting Information. Copyright Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2006
Supporting Information Copyright Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, 2006 Supporting information Chiral Thiourea-Based Bifunctional Organocatalysts in the Asymmetric Nitro- Michael Addition:
Διαβάστε περισσότεραSupporting Information. Palladium Complexes with Bulky Diphosphine. Synthesis of (Bio-) Adipic Acid from Pentenoic. Acid Mixtures.
Supporting Information Palladium Complexes with Bulky Diphosphine Ligands as Highly Selective Catalysts for the Synthesis of (Bio-) Adipic Acid from Pentenoic Acid Mixtures. Choon Heng Low, James D. Nobbs,*
Διαβάστε περισσότεραSupporting Information
Electronic Supplementary Material (ESI) for New Journal of Chemistry. This journal is The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018 Supporting Information A Possible
Διαβάστε περισσότεραReaction of Lithium Diethylamide with an Alkyl Bromide and Alkyl Benzenesulfonate: Origins of Alkylation, Elimination, and Sulfonation.
Reaction of Lithium Diethylamide with an Alkyl omide and Alkyl Benzenesulfonate: rigins of Alkylation, Elimination, and ulfonation. Lekha Gupta, Antonio Ramírez and David B. Collum* Contribution from the
Διαβάστε περισσότεραMild Aliphatic and Benzylic hydrocarbon C H Bond Chlorination Using Trichloroisocyanuric Acid (TCCA)
Mild Aliphatic and Benzylic hydrocarbon C H Bond Chlorination Using Trichloroisocyanuric Acid (TCCA) Sascha H. Combe, Abolfazl Hosseini, Alejandro Parra, # and Peter R. Schreiner*, Institute of Organic
Διαβάστε περισσότεραElectronic Supplementary Information (ESI) for
Electronic Supplementary Material (ESI) for Chemical Science. This journal is The Royal Society of Chemistry 2014 Electronic Supplementary Information (ESI) for A Kinetically Blocked 1,14:11,12- Dibenzopentacene:
Διαβάστε περισσότεραNesting Complexation of C 60 with Large, Rigid D 2 Symmetrical Macrocycles
Supporting Information for: Nesting Complexation of C 60 with Large, Rigid D 2 Symmetrical Macrocycles Marco Caricato, a Carmine Coluccini, a Daniele Dondi, b Douglas Vander Griend, c and Dario Pasini,
Διαβάστε περισσότεραElectronic Supplementary Information for
Electronic Supplementary Information for Paper Title: Molecular mechanism of acid-triggered aryl-halide crosscoupling reaction via reductive elimination in well-defined aryl-cu III -halide species Authors:
Διαβάστε περισσότεραSupporting Information. Identification of Absolute Helical Structures of Aromatic Multi-layered Oligo(m-phenylurea)s in Solution.
Supporting Information Identification of Absolute Helical Structures of Aromatic Multi-layered Oligo(m-phenylurea)s in Solution. Mayumi Kudo, 1 Takayuki Hanashima, 2 Atsuya Muranaka, 3,* Hisako Sato, 4,5,
Διαβάστε περισσότεραSupporting Information
Supporting Information Vinylogous elimination/heck coupling/allylation domino reactions: access to 2- substituted 2,3-dihydrobenzofurans and indolines Jianguo Yang, *, Hanjie Mo, Xiuxiu Jin, Dongdong Cao,
Διαβάστε περισσότεραchlorostibine Iou-Sheng Ke and François P. Gabbai Department of Chemistry, Texas A&M University, College Station, TX
σ-donor/acceptor confused ligands: The case of a chlorostibine Iou-Sheng Ke and François P. Gabbai Department of Chemistry, Texas A&M University, College Station, TX 77843-3255. *To whom correspondence
Διαβάστε περισσότεραTable of Contents 1 Supplementary Data MCD
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2017 Supporting Information for Magnetic circular dichroism and density functional theory
Διαβάστε περισσότεραIntermolecular Aminocarbonylation of Alkenes using Cycloadditions of Imino-Isocyanates. Supporting Information
Intermolecular Aminocarbonylation of Alkenes using Cycloadditions of Imino-Isocyanates Amanda Bongers, Christian Clavette, Wei Gan, Serge I. Gorelsky, Lyanne Betit, Kaitlyn Lavergne, Thomas Markiewicz,
Διαβάστε περισσότεραA Selective, Sensitive, Colorimetric and Fluorescence Probe. for Relay Recognition of Fluoride and Cu (II) ions with
Supporting Information for A Selective, Sensitive, Colorimetric and Fluorescence Probe for Relay Recognition of Fluoride and Cu (II) ions with OFF-ON-OFF Switching in Ethanol-Water Solution Yu Peng,* Yu-Man
Διαβάστε περισσότεραSupporting Information
Supporting Information Imidazol(in)ium Hydrogen Carbonates as a Genuine Source of N- Heterocyclic Carbenes (NHCs): Applications to the Facile Preparation of NHC Metal Complexes and to NHC- Organocatalyzed
Διαβάστε περισσότεραNaphthotetrathiophene Based Helicene-like Molecules: Synthesis and Photophysical Properties
Supporting information for: Naphthotetrathiophene Based Helicene-like Molecules: Synthesis and Photophysical Properties Xueqian Zhao 1, Lipeng Zhang 1, Jinsheng Song 1, *, Yuhe Kan 2, and Hua Wang 1, *
Διαβάστε περισσότεραAsymmetric H/D exchange reaction of fluorinated aromatic ketones
Asymmetric H/D exchange reaction of fluorinated aromatic ketones Yujun Zhao 1 Xiaozhi Lim 2 Yuanhang Pan 1 Lili Zong 1 Wei Feng 1 and Choon-Hong Tan 1 * Kuo-Wei Huang 2 * 1 Department of Chemistry and
Διαβάστε περισσότεραPhoto-Induced Self-Assembly of Pt(II)-Linked Rings and Cages via the Photolabilization of a Pt(II) Pyridine Bond
Photo-Induced Self-Assembly of Pt(II)-Linked Rings and Cages via the Photolabilization of a Pt(II) Pyridine Bond Ken-ichi Yamashita, Kei-ichi Sato, Masaki Kawano and Makoto Fujita* Contents; Figure S1.
Διαβάστε περισσότεραNickel and Platinum PCP Pincer Complexes Incorporating an Acyclic Diaminoalkyl Central Moiety Connecting Imidazole or Pyrazole Rings
ickel and Platinum PCP Pincer Complexes Incorporating an Acyclic Diaminoalkyl Central Moiety Connecting Imidazole or Pyrazole Rings Braulio M. Puerta Lombardi, Rudy M. Braun, Chris Gendy, Chia Yun Chang,
Διαβάστε περισσότεραIV. ANHANG 179. Anhang 178
Anhang 178 IV. ANHANG 179 1. Röntgenstrukturanalysen (Tabellen) 179 1.1. Diastereomer A (Diplomarbeit) 179 1.2. Diastereomer B (Diplomarbeit) 186 1.3. Aldoladdukt 5A 193 1.4. Aldoladdukt 13A 200 1.5. Aldoladdukt
Διαβάστε περισσότεραAccessory Publication
Accessory Publication Pitfalls in the Photoelectron Spectroscopic Investigations of Benzyne. Photoelectron Spectrum of Cyclopentadienylideneketene. Anna Chrostowska, A,C Genevieve Pfister-Guillouzo, A
Διαβάστε περισσότεραSupporting Information
Supporting Information for Solving the Density Functional Conundrum: Elimination of Systematic Errors to Derive Accurate Reaction Enthalpies of Complex rganic Reactions Arkajyoti Sengupta and Krishnan
Διαβάστε περισσότεραFigure S12. Kinetic plots for the C(2)-H/D exchange reaction of 2 CB[7] as a function
Supporting Information Encapsulation of Vitamin B 1 and its Phosphate Derivatives by Cucurbit[7]uril: Tunability of the Binding Site and Affinity by the Presence of Phosphate Groups Shengke Li, Hang Yin,
Διαβάστε περισσότεραBis(perylene diimide) with DACH bridge as nonfullerene. electron acceptor for organic solar cells
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2016 Supporting Information for Bis(perylene diimide) with DACH bridge as nonfullerene electron
Διαβάστε περισσότεραTitle N-H versus C-H Activation of a Pyrrole Imine at {Cp*Ir}: A Computational and Experimental Study
Supporting Information for: Title N-H versus C-H Activation of a Pyrrole Imine at {Cp*Ir}: A Computational and Experimental Study David L. Davies,* a Steven M. A. Donald, b Omar Al-Duaij, a John Fawcett,
Διαβάστε περισσότεραPush-Pull Type Porphyrin Based Sensitizers: The Effect of Donor Structure on the Light- Harvesting Ability and Photovoltaic Performance
Push-Pull Type Porphyrin Based Sensitizers: The Effect of Donor Structure on the Light- Harvesting Ability and Photovoltaic Performance Item Type Article Authors Qi, Qingbiao; Li, Renzhi; Luo, Jie; Zheng,
Διαβάστε περισσότεραZebra reaction or the recipe for heterodimeric zinc complexes synthesis
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 05 Supporting Information Zebra reaction or the recipe for heterodimeric zinc complexes synthesis
Διαβάστε περισσότεραSupporting Information File 2. Crystallographic data of syn-bis-quinoxaline, 16c CH 3 CO 2 C 2 H 5 ;
Supporting Information File 2 Crystallographic data of syn-bis-quinoxaline, 16c CH 3 CO 2 C 2 H 5 ; Preparation, structures and host guest chemistry of fluorinated syn-bisquinoxaline molecular tweezers
Διαβάστε περισσότεραSupporting Information
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2016 Supporting Information Luminescent Organoboron Ladder Compounds via Directed Electrophilic
Διαβάστε περισσότεραSupplementary Material
Supplementary Material Synthesis of bis-oxathiaaza[3.3.3]propellanes via nucleophilic addition of (1,ω-alkanediyl)bis(N'-organylthioureas) on dicyanomethylene-1,3-indanedione Alaa A. Hassan, a * Kamal
Διαβάστε περισσότεραElectronic Supplementary Information (ESI)
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information (ESI) Cyclopentadienyl iron dicarbonyl (CpFe(CO) 2 ) derivatives
Διαβάστε περισσότεραSupporting Information
Supporting Information Wiley-VC 2009 69451 Weinheim, Germany S1 Supporting Information for: The Lowest Singlet and Triplet States of the Oxyallyl Diradical Takatoshi Ichino, Stephanie M. Villano, Adam
Διαβάστε περισσότεραSupporting Information
Supporting Information Intramolecular Charge-Transfer Interaction of Donor Acceptor Donor Arrays Based on Anthracene Bisimide Tetsuo Iwanaga, *, Marina Ogawa, Tomokazu Yamauchi, and Shinji Toyota *, Department
Διαβάστε περισσότεραSynthesis and spectroscopic properties of chial binaphtyl-linked subphthalocyanines
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2014 Synthesis and spectroscopic properties of chial binaphtyl-linked subphthalocyanines Luyang Zhao,
Διαβάστε περισσότεραSupporting Information. Copyright Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2008
Supporting Information Copyright Wiley-VC Verlag Gmb & Co. KGaA, 69451 Weinheim, 2008 Copper Complexes of Mono- and Ditopic [(Methylthio)methyl]borates: Missing Links and Linked Systems En Route to Copper
Διαβάστε περισσότεραSUPPORTING INFORMATION. Visible Light Excitation of a Molecular Motor with an Extended Aromatic Core
SUPPORTING INFORMATION Visible Light Excitation of a Molecular Motor with an Extended Aromatic Core Thomas van Leeuwen, Jasper Pol, Diederik Roke, Sander J. Wezenberg, Ben L. Feringa* Stratingh Institute
Διαβάστε περισσότεραPyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-ring Bithiophenes
SUPPORTING INFORMATION Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-ring Bithiophenes Eric J. Uzelac, Casey B. McCausland, and Seth C. Rasmussen*
Διαβάστε περισσότεραHeavier chalcogenone complexes of bismuth(iii)trihalides: Potential catalysts for acylative cleavage of cyclic ethers. Supporting Information
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2015 Heavier chalcogenone complexes of bismuth(iii)trihalides: Potential catalysts for acylative
Διαβάστε περισσότεραEnantioselective Organocatalytic Michael Addition of Isorhodanines. to α, β-unsaturated Aldehydes
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2016 Enantioselective Organocatalytic Michael Addition of Isorhodanines to α,
Διαβάστε περισσότεραSupporting Information File for. Design of van der Waals Two-Dimensional Heterostructures from
Supporting Information File for Design of van der Waals Two-Dimensional Heterostructures from Facially Polarized Janus all-cis 1,2,3,4,5,6-hexafluorocyclohexane (C 6 H 6 F 6 ) Saied Md Pratik, 1 A. Nijamudheen,
Διαβάστε περισσότεραSupporting Information
Supporting Information 1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles - Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation and
Διαβάστε περισσότεραCycloaddition of Homochiral Dihydroimidazoles: A 1,3-Dipolar Cycloaddition Route to Optically Active Pyrrolo[1,2-a]imidazoles
X-Ray crystallographic data tables for paper: Supplementary Material (ESI) for Organic & Biomolecular Chemistry Cycloaddition of Homochiral Dihydroimidazoles: A 1,3-Dipolar Cycloaddition Route to Optically
Διαβάστε περισσότεραSupporting Information. Halogen Photoelimination from Monomeric Ni(III) Complexes Enabled by the Secondary Coordination Sphere
Supporting Information Halogen Photoelimination from Monomeric Ni(III) Complexes Enabled by the Secondary Coordination Sphere Seung Jun Hwang, a Bryce L. Anderson, a David C. Powers, a Andrew G. Maher,
Διαβάστε περισσότεραSupporting Information. Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C H Arylation/Decarboxylation for the. Synthesis of Heteroaromatic Biaryls
Supporting Information Pd()-Catalyzed Decarboxylative Coupling and Tandem C H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls Debkumar andi, Yang-Ming Jhou, Jhen-Yi Lee, Bing-Chiuan
Διαβάστε περισσότεραSupporting Information
Supporting Information for Pyrene nucleobase conjugates: synthesis, oligonucleotide binding and confocal bioimaging studies Artur Jabłoński 1, Yannic Fritz 2, Hans-Achim Wagenknecht 2, Rafał Czerwieniec
Διαβάστε περισσότεραSupporting Information
Electronic Supplementary Material (ESI) for New Journal of Chemistry. This journal is The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2017 Supporting Information Synthesis
Διαβάστε περισσότεραCapture of Benzotriazole-Based Mannich Electrophiles by CH-Acidic Compounds
Capture of Benzotriazole-Based Mannich Electrophiles by CH-Acidic Compounds Jean-Christophe M. Monbaliu, a,b Lucas K. Beagle, a Finn K. Hansen, a,c Christian V. Stevens, b Ciaran McArdle d and Alan R.
Διαβάστε περισσότεραSupporting Information. Lithium Cadmate-Mediated Deprotonative Metalation of Anisole: Experimental and Computational Study
Supporting Information Lithium Cadmate-Mediated Deprotonative Metalation of Anisole: Experimental and Computational Study Katia Snégaroff, Shinsuke Komagawa, Mitsuhiro Yonehara, Floris Chevallier, Philippe
Διαβάστε περισσότεραSupporting Material. Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays
Supporting Material Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays Aaron D. Wilson, Rachel H. Newell, Michael J. McNevin, James T. Muckerman, ψ M.
Διαβάστε περισσότεραSupporting Information for Substituent Effects on the Properties of Borafluorenes
Supporting Information for Substituent Effects on the Properties of Borafluorenes Mallory F. Smith, S. Joel Cassidy, Ian A. Adams, Monica Vasiliu, Deidra L. Gerlach, David Dixon*, Paul A. Rupar* Department
Διαβάστε περισσότεραDisulfide-based metal free sulfanylation of ketones
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 215 Vaquer, Secci, Frongia, Tuveri Supporting Information Disulfide-based metal free sulfanylation
Διαβάστε περισσότεραC H Activation of Cp* Ligand Coordinated to Ruthenium. Center: Synthesis and Reactivity of a Thiolate-Bridged
Supporting Information C H Activation of Cp* Ligand Coordinated to Ruthenium Center: Synthesis and Reactivity of a Thiolate-Bridged Diruthenium Complex Featuring Fulvene-like Cp* Ligand Xiaoxiao Ji, Dawei
Διαβάστε περισσότεραSupplementary Materials for. Kinetic and Computational Studies on Pd(I) Dimer- Mediated Halogen Exchange of Aryl Iodides
Supplementary Materials for Kinetic and Computational Studies on Pd(I) Dimer- Mediated Halogen Exchange of Aryl Iodides Indrek Kalvet, a Karl J. Bonney, a and Franziska Schoenebeck a * a Institute of Organic
Διαβάστε περισσότεραElectronic Supplementary Information (ESI)
Electronic Supplementary Information (ESI) Oleonin, the first secoiridoid with 1 -configuration from Ligustrum lucidum Xiao-Jun Huang, a,b,c Lei Wang, a,c Meng Shao, d Shu-Zhi Hu, a Ren-Wang Jiang, a Xin-Sheng
Διαβάστε περισσότεραDFT Kinetic Study of the Pyrolysis Mechanism of Toluene Used for Carbon Matrix
2001 59 1, 17 21 ACTA CHIMICA SINICA Vol 59, 2001 No 1, 17 21 a,d Ξ a b b a a ( a b 710069) c d ( c 100083) ( d 710072) UB3LYP/ 3-21G 3 5 298 1 223 K : 963 K, 0 = 402 27 kj/ mol ; 963 K 1 223 K, E 0 =
Διαβάστε περισσότεραSupporting Information
SUPPORTING INFORMATION FOR: Trialkylstibine complexes of boron, aluminium, gallium and indium trihalides: synthesis, properties and bonding Victoria K. Greenacre, William Levason and Gillian Reid Chemistry,
Διαβάστε περισσότεραSupplementary Figures
Supplementary Figures Supplementary Figure 1. 1 H NMR spectrum (400 MHz, CDCl 3 ) of diester 3. Supplementary Figure 2. 13 C NMR spectrum (100 MHz, CDCl 3 ) of diester 3. 1 Supplementary Figure 3. 1 H
Διαβάστε περισσότεραSupporting Information
Supporting Information Copyright Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, 2014 Bis- and Tris(pyrazolyl)borate/methane-Stabilized P III -Centered Cations Lianghu Gu, Gopinadhanpillai Gopakumar,
Διαβάστε περισσότεραElectronic supplementary information (ESI) Bodipy functionalized ortho-carborane dyads for low-energy photosensitization
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2014 Electronic supplementary information (ESI) Bodipy functionalized ortho-carborane dyads
Διαβάστε περισσότεραFused Bis-Benzothiadiazoles as Electron Acceptors
Fused Bis-Benzothiadiazoles as Electron Acceptors Debin Xia, a,b Xiao-Ye Wang, b Xin Guo, c Martin Baumgarten,*,b Mengmeng Li, b and Klaus Müllen*,b a MIIT Key Laboratory of ritical Materials Technology
Διαβάστε περισσότεραEnantioselective Synthesis of the Anti-inflammatory Agent ( )-Acanthoic Acid
Enantioselective Synthesis of the Anti-inflammatory Agent ( )-Acanthoic Acid Taotao Ling, a Chinmay Chowdhury, a Bryan A. Kramer, a Binh G. Vong, a Michael A. Palladino b and Emmanuel A. Theodorakis a
Διαβάστε περισσότεραSupplementary Information
Supplementary Information Thermochromism in an organic crystal based on the co-existence of σ- and π-dimers YASUSHI MORITA 1,2 *, SHUICHI SUZUKI 1, KOZO FUKUI 2, SHIGEAKI NAKAZAWA 3, HIROSHI KITAGAWA 4,
Διαβάστε περισσότεραTable S1. Summary of data collections and structure refinements for crystals 1Rb-1h, 1Rb-2h, and 1Rb-4h.
Supporting Information [NH 3 CH 3 ] [In SbS 9 SH]: A novel methylamine-directed indium thioantimonate with Rb + ion-exchange property Kai-Yao Wang a,b, Mei-Ling Feng a, Jian-Rong Li a and Xiao-Ying Huang
Διαβάστε περισσότεραSynthesis, characterization and luminescence studies of
Supporting Information for Synthesis, characterization and luminescence studies of gold(i) HC amide complexes Adrián Gómez-Suárez, David J. elson, David G. Thompson, David B. Cordes, Duncan Graham, Alexandra
Διαβάστε περισσότεραAmplification of a metallacyclic receptor out of a dynamic combinatorial library. - Supporting Information -
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2017 Amplification of a metallacyclic receptor out of a dynamic combinatorial library Arturo
Διαβάστε περισσότεραExperimental and Theoretical Evidence of the Au(I) Bi(III) Closed-Shell Interaction
Experimental and Theoretical Evidence of the Au(I) Bi(III) Closed-Shell Interaction Eduardo J. Fernández, a * Antonio Laguna, b * José M. López-de-Luzuriaga, a Miguel Monge, a M. Elena Olmos, a Mihai Nema,
Διαβάστε περισσότεραElectronic Supplementary Information
7- Selenabicyclo[2.2.1]heptane Phoebe E. Macdougall, a,b Heather M. Aitken, a,b Peter J. Scammells, a,c Yvonne Kavanagh, a,b Sara H. Kyne, a,b,d and Carl H. Schiesser* a,b Electronic Supplementary Information
Διαβάστε περισσότεραSupporting Information
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2017 Supporting Information Domino reaction of cyclic sulfamidate imines with
Διαβάστε περισσότεραPatrycja Miszczyk, Dorota Wieczorek, Joanna Gałęzowska, Błażej Dziuk, Joanna Wietrzyk and Ewa Chmielewska. 1. Spectroscopic Data.
; doi:10.3390/molecules22020254 S1 of S23 Supplementary Materials: Reaction of 3-Amino-1,2,4-Triazole with Diethyl Phosphite and Triethyl Orthoformate: Acid-Base Properties and Antiosteoporotic Activities
Διαβάστε περισσότεραStereochemistry and mechanistic insight in the [2 k +2 i +2 i ] annulations of ketenes and imines
Stereochemistry and mechanistic insight in the [2 k +2 i +2 i ] annulations of ketenes and imines Zhanhui Yang, Wei He, Baoxiang Cheng and Jiaxi Xu* State Key Laboratory of Chemical Resource Engineering,
Διαβάστε περισσότεραSynthesis of New Heteroscorpionate Iridium(I) and Iridium(III) Complexes
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2015 ELECTRONIC SUPPORTING INFORMATION For Synthesis of New Heteroscorpionate Iridium(I)
Διαβάστε περισσότεραPt-Ag Clusters and their Neutral Mononuclear Pt(II) Starting Complexes: Structural and Luminescence Studies.
Pt-Ag Clusters and their Neutral Mononuclear Pt(II) Starting Complexes: Structural and Luminescence Studies. Juan Forniés* a, Violeta Sicilia *b, José Mª Casas a, Antonio Martín a, José A. López a, Carmen
Διαβάστε περισσότεραSupplementary information
Electronic Supplementary Material (ESI) for rganic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2015 Supplementary information Hybrids of acylated homoserine lactone and nitric
Διαβάστε περισσότεραSupporting Information. Research Center for Marine Drugs, Department of Pharmacy, State Key Laboratory
Supporting Information Dysiherbols A C and Dysideanone E, Cytotoxic and NF-κB Inhibitory Tetracyclic Meroterpenes from a Dysidea sp. Marine Sponge Wei-Hua Jiao,, Guo-Hua Shi,, Ting-Ting Xu,, Guo-Dong Chen,
Διαβάστε περισσότεραSupporting Information for. Catalytic C H α-trifluoromethylation of α,β-unsaturated Carbonyl Compounds
Supporting Information for Catalytic C H α-trifluoromethylation of α,β-unsaturated Carbonyl Compounds Zhongxue Fang, a Yongquan Ning, a Pengbing Mi, a Peiqiu Liao, a Xihe Bi* a,b a Department of Chemistry,
Διαβάστε περισσότεραSupplementary Information. Living Ring-Opening Polymerization of Lactones by N-Heterocyclic Olefin/Al(C 6 F 5 ) 3
Supplementary Information Living Ring-Opening Polymerization of Lactones by N-Heterocyclic Olefin/Al(C 6 F 5 ) 3 Lewis Pairs: Structures of Intermediates, Kinetics, and Mechanism Qianyi Wang, Wuchao Zhao,
Διαβάστε περισσότεραSupporting Information. A Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair. Receptor for the Recognition and Extraction of Lithium Nitrite
Supporting Information For A Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite Qing He, Zhan Zhang, James T. Brewster, Vincent M. Lynch,
Διαβάστε περισσότεραElectronic Supplementary Information (ESI)
Electronic Supplementary Material (ESI) for Medicinal Chemistry Communications. This journal is The Royal Society of Chemistry 2015 BODIPY appended copper(ii) complexes of curcumin showing mitochondria
Διαβάστε περισσότεραMultifunctinality and Crystal Dynamics of Highly Stable Porous Metal-Organic Framework [Zn 4 O(NTB) 2 ]
Supporting Information Multifunctinality and Crystal Dynamics of Highly Stable Porous Metal-Organic Framework [Zn 4 O(NTB) 2 ] Eun Young Lee, Seung Yeon Jang, and Myunghyun Paik Suh* School of Chemistry,
Διαβάστε περισσότεραZn 2 +, Studies on the Structures and Antihyperglycemic Effects of Zn 2 +, Cu 2 +, Ni 2 + 2Metformin Complexes. ZHU, Miao2Li LU, Li2Ping YANG, Pin Ξ
2004 62 8, 783 788 ACTA CHIMICA SINICA Vol 62, 2004 No 8, 783 788 Zn 2 +, Cu 2 + Ni 2 + Ξ Ξ ( 030006) Zn 2 +, Cu 2 +, Ni 2 + :Zn 2 +, Cu 2 +, Ni 2 +, N, N, N, N,, Studies on the Structures and Antihyperglycemic
Διαβάστε περισσότερα