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1 Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C. This journal is The Royal Society of Chemistry 2014 Supporting Information Heteroleptic Platinum(II) NHC Complexes with a C^C* Cyclometalated Ligand Synthesis, Structure and Photophysics Alexander Tronnier, a Ute Heinemeyer, b Stefan Metz, b Gerhard Wagenblast, b Ingo Münster b and Thomas Strassner *a a Physikalische Organische Chemie, Technische Universität Dresden, Dresden, Germany, Fax: ; Tel: ; thomas.strassner@chemie.tu-dresden.de b BASF SE, Ludwigshafen, Germany Table of contents: List of Abbreviations S 2 2D NMR Spectra S 3 Solid-State Determination S 11 Photoluminescence Data S 17 Device Details and Performance S 19 Quantum Chemical Calculations S 20 S1
2 List of Abbreviations 2D NMR One-/two-dimensional Nuclear Magnetic Resonance Spectroscopy acac Acetylacetonate B3LYP Becke three-parameter exchange, Lee-Yang-Parr correlation functional BP86 Becke 1988 exchange correction, Perdew86 correlation functional cd Candela CIE Color coordinates, defined by an international commission (CIE Commission internationale de l éclairage) COD 1,5-Cyclooctadiene COSY Homonuclear correlation spectroscopy DFT Density functional theory DMF Dimethylformamide DMSO Dimethyl sulfoxide ECP Effective core potential EQE External quantum yield FMO Frontier molecular orbital HMBC Heteronuclear multiple-bond correlation spectroscopy HOMO Highest occupied molecular orbital HSQC Heteronuclear single-quantum correlation spectroscopy Hz Hertz ILCT Intraligand charge transfer LLCT Ligand-to-ligand charge transfer LUMO Lowest unoccupied molecular orbital MLCT Metal-to-ligand charge transfer M.p. Melting point NHC N-Heterocyclic carbene NOESY Nuclear Overhauser effect spectroscopy OLED Organic light-emitting device/diode PMMA Poly(methyl methacrylate) SOC Spin-orbit coupling TD-DFT Time-dependent density functional theory QY Quantum yield S2
3 2D NMR Spectra N N Pt O O 8 Figure S1. COSY spectrum of complex 8. S3
4 Figure S2. HSQC spectrum of complex 8. S4
5 Figure S3. HMBC spectrum of complex 8. S5
6 Figure S4. NOESY spectrum of complex 8. S6
7 N N Pt O O 9 Figure S5. COSY spectrum of complex 9. S7
8 Figure S6. HSQC spectrum of complex 9. S8
9 Figure S7. HMBC spectrum of complex 9. S9
10 Figure S8. NOESY spectrum of complex 9. S10
11 Solid-State Determination In the following section the solid-state data for 5 8 and 12 are given. Table S1. Crystal data and crystallographic details for 5 7 Complex CCDC # empirical formula C 25 H 22 N 2 O 2 Pt C 30 H 32 N 2 O 2 Pt C 34 H 24 N 2 O 2 Pt formula weight [g/mol] T [K] 198(2) 198(2) 198(2) wavelength [Å] crystal system monoclinic monoclinic trigonal space group P 2 1 /c P 2 1 /c R -3 a [Å] (16) (3) (6) b [Å] (4) (3) (6) c [Å] (3) (16) (18) α [ ] β [ ] (16) (15) 90 γ [ ] U [Å 3 ] (8) (9) 13285(5) Z D calc [Mg/m 3 ] μ(mokα) [mm -1 ] crystal size [mm 3 ] F(000) reflections collected independent reflections 4129 R int = R int = R int = Goodness-of-fit on F R 1 [I>2σ(I)] wr 2 [I>2σ(I)] data / restraints / parameters 4129 / 0 / / 0 / / 0 / 352 S11
12 Table S2. Crystal data and crystallographic details for 8 and 12 Complex 8 12 CCDC # empirical formula C 40 H 36 N 2 O 2 Pt C 41 H 38 N 2 O 2 Pt formula weight [g/mol] T [K] 198(2) 198(2) wavelength [Å] crystal system triclinic triclinic space group P -1 P -1 a [Å] (15) (3) b [Å] (1) (2) c [Å] (12) (19) α [ ] (5) (12) β [ ] (9) (11) γ [ ] (8) (15) U [Å 3 ] (3) (11) Z 2 4 D calc [Mg/m 3 ] μ(mokα) [mm -1 ] crystal size [mm 3 ] F(000) reflections collected independent reflections 6797 R int = R int = Goodness-of-fit on F R 1 [I>2σ(I)] wr 2 [I>2σ(I)] data / restraints / parameters 6797 / 0 / / 0 / 829 S12
13 Figure S9. Molecule pair of complex 5 in the solid state. Figure S10. Molecule pair of complex 6 in the solid state. S13
14 Figure S11. Molecule pair of complex 7 in the solid state. S14
15 Figure S12. Molecule pair of complex 8 in the solid state. S15
16 Figure S13. Molecule pair of complex 12 in the solid state. S16
17 Photoluminescence Data In the following section additional photophysical data for the complexes are given. Figure S14. Absorption spectra for 5 12 and the reference complex 1 as 100% emitter films. S17
18 Figure S15. Normalized emission spectra for 6 12 and the reference complex 1 as 100% emitter films. S18
![Device Details and Performance Al/LiF O ETL BCP : Cs 2 CO 3 (25 nm) 13 Si Si HBL 13 (5 nm) EML 8 : 13 : 14 (40 nm) 14 = [Ir(dpbic) 3 ] BCP HTL](/docs-images/93/111506357/images/19-0.jpg "14 (10 nm) HIL 14 :MoO 3 (10 nm) ITO N N Ir N N Glass 3 Figure S16. Device layout (left) and structure of 13 and 14 (right).")
19 Device Details and Performance Al/LiF O ETL BCP : Cs 2 CO 3 (25 nm) 13 Si Si HBL 13 (5 nm) EML 8 : 13 : 14 (40 nm) 14 = [Ir(dpbic) 3 ] BCP HTL 14 (10 nm) HIL 14 :MoO 3 (10 nm) ITO N N Ir N N Glass 3 Figure S16. Device layout (left) and structure of 13 and 14 (right). ETL = electron-transport layer, HBL = hole-blocking layer, EML = emission layer, HTL = hole-transport layer, HIL = hole-injection layer. BCP = 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline. Figure S17. Single-matrix device data at different emitter (8) concentrations (5 30%) plotted against the voltage. S19
20 Quantum Chemical Calculations Table S3. Comparison of bond lengths, angles and dihedral angles of 5 from the solid-state determination and DFT calculations (B3LYP/6-31G(d)). DFT Bonds [Å]/Angles [ ] X-ray Singlet Triplet Pt(1)-C(1) 1.947(9) Pt(1)-C(9) 1.990(9) Pt(1)-O(1) 2.070(7) Pt(1)-O(2) 2.037(7) O(1)-Pt(1)-O(2) 88.1(3) C(1)-Pt(1)-C(9) 80.6(4) Pt(1)-C(1)-N(1)-C(8) 3.3(1) N(1)-C(1)-Pt(1)-O(1) 175.6(7) Table S4. Comparison of bond lengths, angles and dihedral angles of 6 from the solid-state determination and DFT calculations (B3LYP/6-31G(d)). DFT Bonds [Å]/Angles [ ] X-ray Singlet Triplet Pt(1)-C(1) 1.933(4) Pt(1)-C(9) 1.991(3) Pt(1)-O(1) 2.100(2) Pt(1)-O(2) 2.037(3) O(1)-Pt(1)-O(2) 88.79(10) C(1)-Pt(1)-C(9) 79.51(16) Pt(1)-C(1)-N(1)-C(8) -7.3(4) N(1)-C(1)-Pt(1)-O(1) (2) Table S5. Comparison of bond lengths, angles and dihedral angles of 7 from the solid-state determination and DFT calculations (B3LYP/6-31G(d)). DFT Bonds [Å]/Angles [ ] X-ray Singlet Triplet Pt(1)-C(1) 1.923(4) Pt(1)-C(9) 1.988(5) Pt(1)-O(1) 2.088(4) Pt(1)-O(2) 2.042(3) O(1)-Pt(1)-O(2) 89.35(13) C(1)-Pt(1)-C(9) 79.90(19) Pt(1)-C(1)-N(1)-C(8) -7.4(4) N(1)-C(1)-Pt(1)-O(1) (3) S20
21 Table S6. Comparison of bond lengths, angles and dihedral angles of 8 from the solid-state determination and DFT calculations (B3LYP/6-31G(d)). DFT Bonds [Å]/Angles [ ] X-ray Singlet Triplet Pt(1)-C(1) 1.923(3) Pt(1)-C(9) 1.985(3) Pt(1)-O(1) 2.074(2) Pt(1)-O(2) 2.041(2) O(1)-Pt(1)-O(2) 89.68(9) C(1)-Pt(1)-C(9) 79.87(13) Pt(1)-C(1)-N(1)-C(8) 2.8(4) N(1)-C(1)-Pt(1)-O(1) 174.7(3) Table S7. Comparison of bond lengths, angles and dihedral angles of 12 from the solid-state determination and DFT calculations (B3LYP/6-31G(d)). DFT Bonds [Å]/Angles [ ] X-ray Singlet Triplet Pt(1)-C(1) 1.950(12) Pt(1)-C(9) 1.983(12) Pt(1)-O(1) 2.074(8) Pt(1)-O(2) 2.062(8) O(1)-Pt(1)-O(2) 89.9(3) C(1)-Pt(1)-C(9) 79.9(5) Pt(1)-C(1)-N(1)-C(8) 0.3(13) N(1)-C(1)-Pt(1)-O(1) (9) Table S8. Data for the wavelength prediction (BP86/6-31G(d)). Complex S-T gap [ev] λ max uncorr. S-T gap corr. λ max corr. [nm] λ max exp. [nm] [ev] [nm] S21
22 Figure S18. Possible isomers of complex 11 (11iso, left) and 12 (12iso, right) in the S0 ground state with cyclometalation to the benzyl ring (B3LYP/6-31G(d)). S22
23 Figure S19. Gaussian shaped absorption spectra and transitions of complex 5 calculated by TD-B3LYP/CPCM (DCM) at the singlet S 0 ground state. Figure S20. Gaussian shaped absorption spectra and transitions of complex 6 calculated by TD-B3LYP/CPCM (DCM) at the singlet S 0 ground state. Figure S21. Gaussian shaped absorption spectra and transitions of complex 7 calculated by TD-B3LYP/CPCM (DCM) at the singlet S 0 ground state. S23
24 Figure S22. Gaussian shaped absorption spectra and transitions of complex 8 calculated by TD-B3LYP/CPCM (DCM) at the singlet S 0 ground state. Figure S23. Gaussian shaped absorption spectra and transitions of complex 9 calculated by TD-B3LYP/CPCM (DCM) at the singlet S 0 ground state. Figure S24. Gaussian shaped absorption spectra and transitions of complex 10 calculated by TD-B3LYP/CPCM (DCM) at the singlet S 0 ground state. S24
25 Figure S25. Gaussian shaped absorption spectra and transitions of complex 11 calculated by TD-B3LYP/CPCM (DCM) at the singlet S 0 ground state. Figure S26. Gaussian shaped absorption spectra and transitions of complex 12 calculated by TD-B3LYP/CPCM (DCM) at the singlet S 0 ground state. S25
26 Figure S27. Frontier molecular orbitals (LUMO+1, LUMO, HOMO, HOMO-1 from top to bottom) of the complexes 5 10 computed on the singlet S 0 ground state (B3LYP/6-31G(d), isovalue = 0.02). S26
27 Figure S28. Frontier molecular orbitals (LUMO+1, LUMO, HOMO, HOMO-1 from top to bottom) of the complexes 11 and 12 computed on the singlet S 0 ground state (B3LYP/6-31G(d), isovalue = 0.02). S27
28 In the following section the singlet S 0 ground state geometries for 5 12 are given (B3LYP/6-31G(d)). Coordinates for the optimized singlet ground state of 5. Pt C C C C H C C H H C N N O C C C C H H H C H H H O H C C C C H C H C H H H C C C C C H C H H H C S28 H H H Coordinates for the optimized singlet ground state of 6. Pt C C C C H C C H H C N N O C C C H C C O H C C C C H C H C H H H C C C C C H C H H H C H
29 H H C H H H C H H H C H H H C H H H C H H H Coordinates for the optimized singlet ground state of 7. Pt C C C C H C C H H C N N O C C C H O H C C C C H C H C H H S29 H C C C C C H C H H H C C C C H C H C H H H C C C C H C H C H H H Coordinates for the optimized singlet ground state of 8. Pt C C C C H C C H H C N N O C C C H O
30 H C C C C H C H C H H H C C C C C H C H H H C C C C C C H H C C C C C C H H C H H H C H H H C H H H C H H H C H S30 H H C H H H Coordinates for the optimized singlet ground state of 9. Pt C C C C H C C H H C N N O C C C H O H C C C C H C H C H H H C C C C C H C H H H C C C C C
31 C C C C C C C C H H 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 C H H H H H Coordinates for the optimized singlet ground state of 10. Pt C C C C H C C H H C S31 N N O C C C H O H C C C C H C H C H H H C C C C C H C H C C C C C C H H C C C C C C H H C H H H C H H H C H H H
32 C H H H C H H H C H H H C C C H C H H H Coordinates for the optimized singlet ground state of 11. Pt C C C C H C C H H C N N O C C C H O H C C C C C C H C H H H C S32 C C C H C H C H H H H H C H H H C H H H Coordinates for the optimized singlet ground state of 12. Pt C C C C H C C H H C N N O C C C H O H C C C C C C H C H H H C
33 C C C C C H H C C C C C C H H C H H H C H H H C H H H C H H H C H H H C C C C H C H C H H H H H C H H H In the following section the T 1 triplet state geometries for the complexes 5 12 are given, which were used for the wavelength prediction (BP86/6-31G(d)). S33
34 Coordinates for the optimized triplet state of 5. Pt C C C C H C C H H C N N O C C C C H H H C H H H O H C C C C H C H C H H H C C C C C H C H H H C H H H S34 Coordinates for the optimized triplet state of 6. Pt C C C C H C C H H C N N O C C C H C C O H C C C C H C H C H H H C C C C C H C H H H C H H H C H H H C H
35 H H C H H H C H H H C H H H Coordinates for the optimized triplet state of 7. Pt C C C C H C C H H C N N O C C C O H C C C C H C H C H H H C C C C C H C H S35 H H C C C C C C H H C C C C C C H H H H H H H H H Coordinates for the optimized triplet state of 8. Pt C C C C H C C H H C N N O C C C H O H C C C C H C H
36 C H H H C C C C C H C H H H C C C C C C H H C C C C C C H 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 S36 Coordinates for the optimized triplet state of 9. Pt C C C C H C C H H C N N O C C C H O H C C C C H C H C H H H C C C C C H C H H H C C C C C C C C C C C C
37 C H H 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 C H H H H H Coordinates for the optimized triplet state of 10. Pt C C C C H C C H H C N N O C C C H S37 O H C C C C H C H C H H H C C C C C H C H C C C C C C H H C C C C C C H H C H H H C H H H C H H H C H H H C H H
38 H C H H H C C C H C H H H Coordinates for the optimized triplet state of 11. Pt C C C C H C C H H C N N O C C C H C H H H C H H H O H C C C C C H C H H H C S38 H H C C C C H C H C H H H Coordinates for the optimized triplet state of 12. Pt C C C C H C C H H C N N O C C C H O H C C C C C C H C H H H C C C C C C H H
39 C C C C C C H H C H H H C H H H C H H H C H H H C H H H C C C C H C H C H H H H H C H H H In the following section the triplet state geometries for the complexes 5 12 are given, which were used for the spin density calculations (B3LYP/6-31G(d)). S39
40 Coordinates for the optimized triplet state of 5. Pt C C C C H C C H H C N N O C C C C H H H C H H H O H C C C C H C H C H H H C C C C C H C H H H C H H H S40 Coordinates for the optimized triplet state of 6. Pt C C C C H C C H H C N N O C C C H C C O H C C C C H C H C H H H C C C C C H C H H H C H H H C H H H C H
41 H H C H H H C H H H C H H H Coordinates for the optimized triplet state of 7. Pt C C C C H C C H H C N N O C C C H O H C C C C H C H C H H H C C C C C H C S41 H H H C C C C H C H C H H H C C C C H C H C H H H Coordinates for the optimized triplet state of 8. Pt C C C C H C C H H C N N O C C C H O H C C C C H C H
42 C H H H C C C C C H C H H H C C C C C C C C C C C C C H H H C H H H C H H H C H H H H H H H C H H H C H H H S42 Coordinates for the optimized triplet state of 9. Pt C C C C H C C H H C N N O C C C H O H C C C C H C H C H H H C C C C C H C H H H C C C C C C C C C C C C
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Supporting 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,*
Engineering Tunable Single and Dual Optical. Emission from Ru(II)-Polypyridyl Complexes. Through Excited State Design
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Electronic Supplementary Information: 2 6 5 7 2 N S 3 9 6 7 5 2 S N 3 9 Scheme S. Atom numbering for thione and thiol tautomers of thioacetamide 3 0.6 0. absorbance 0.2 0.0 0.5 0.0 0.05 0.00 N 2 Ar km/mol
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Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2018 Supporting Information Crotonols A and B, Two Rare Tigliane Diterpenoid
Table 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
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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,
Electronic Supplementary Information for Dalton Transactions. Supplementary Data
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Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-ring Bithiophenes
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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*
Supplementary Materials for. Kinetic and Computational Studies on Pd(I) Dimer- Mediated Halogen Exchange of Aryl Iodides
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Synthesis, Characterization, and Computational Study of Three-Coordinate SNS-Copper(I) Complexes Based on Bis-Thione Precursors
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SUPPORTING INFORMATION. Pyramidanes: The Covalent Form of the Ionic Compounds
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Supporting Information. A catalyst-free multicomponent domino sequence for the. diastereoselective synthesis of (E)-3-[2-arylcarbonyl-3-
Supporting Information for A catalyst-free multicomponent domino sequence for the diastereoselective synthesis of (E)-3-[2-arylcarbonyl-3- (arylamino)allyl]chromen-4-ones Pitchaimani Prasanna 1, Pethaiah
Supporting Information. Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C H Arylation/Decarboxylation for the. Synthesis of Heteroaromatic Biaryls
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Supporting Information for. Catalytic C H α-trifluoromethylation of α,β-unsaturated Carbonyl Compounds
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Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2015 Supporting Information Sequentially palladium catalyzed coupling-cyclocondensation-coupling
Tunable Ligand Emission of Napthylsalophen Triple-Decker Dinuclear Lanthanide (III) Sandwich Complexes
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Bloco A, Cidade Universitária, Ilha do Fundão, Rio de Janeiro, RJ, Brazil. Contents Pages
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2016 Supporting Information Copper(II) Catalyzed Synthesis of Novel Helical
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Supporting Information Molecular Cage Impregnated Palladium Nanoparticles: Efficient, Additive-Free Heterogeneous Catalysts for Cyanation of Aryl Halides. Bijnaneswar Mondal, Koushik Acharyya, Prodip Howlader
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Supporting Information Chloroyttrium 2-(1-(arylimino)alkyl)quinolin-8-olate Complexes: Synthesis, Characterization, and Catalysis of the Ring-Opening Polymerization (ROP) of ε- Caprolactone (ε-cl) Wenjuan
Manuscript submitted to the Journal of the American Society for Mass Spectrometry, September 2011.
The Early Life of a Peptide Cation-Radical. Ground and Excited-State Trajectories of Electron-Based Peptide Dissociations During the First 330 Femtoseconds Christopher L. Moss, Wenkel Liang, Xiaosong Li,*
Supporting Information for. Department of Chemistry, Vanderbilt University, Nashville, TN 37235
Supporting Information for Functional Group Transformations in Derivatives of 1,4-Dihydrobenzo[1,2,4]triazinyl Radical Agnieszka Bodzioch, a, Minyan Zheng, a Piotr Kaszyński, a,b * Greta Utecht a a Organic
Supporting Information. A Combined Crossed Molecular Beams and ab Initio Investigation on the Formation of Vinylsulfidoboron (C 2 H
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Dipole-Guided Electron Capture Causes Abnormal Dissociations of Phosphorylated Pentapeptides
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difluoroboranyls derived from amides carrying donor group Supporting Information
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Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 2016 Supporting information 10-π-electron arenes à la carte: Structure and Bonding of
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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
Supporting Information. Introduction of a α,β-unsaturated carbonyl conjugated pyrene-lactose hybrid
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Synthesis, Crystal Structure and Supramolecular Understanding of 1,3,5-Tris(1-phenyl-1H-pyrazol-5- yl)benzenes
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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
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Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2014 Electronic Supplementary Material (ESI) for Dalton Transactions This journal is The
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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
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Supplentary Information for Aggregation induced blue-shifted ission molecular picture from QM/MM study Qunyan Wu, a Tian Zhang, a Qian Peng,* b Dong Wang, a and Zhigang Shuai* a a Key Loratory of Organic
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Supporting Information for A general synthetic route to [Cu(X)(NHC)] (NHC = N- heterocyclic carbene, X =Cl, Br, I) complexes Orlando Santoro, Alba Collado, Alexandra M. Z. Slawin, Steven P. Nolan and Catherine
Supporting Information. Copyright Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2006
Supporting Information Copyright Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, 2006 Twisting of Conjugated Oligomers and Polymers: Case Study of Oligo- and Polythiophene Sanjio S. Zade and Michael
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Supporting Information rigin of the Regio- and Stereoselectivity of Allylic Substitution of rganocopper Reagents Naohiko Yoshikai, Song-Lin Zhang, and Eiichi Nakamura* Department of Chemistry, The University
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Electronic Supplementary Information (ESI) Lanthanide metal-organic frameworks constructed by asymmetric 2-nitro-biphenyl-4,4 -dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations
Supporting 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
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Supplementary materials. Mode Analysis. Matthias M. N. Wolf, Christian Schumann, Ruth Groß, Tatiana Domratcheva 1 and Rolf. Diller
Supplementary materials Ultrafast Infrared Spectroscopy of Riboflavin: Dynamics, Electronic Structure, and Vibrational Mode Analysis Matthias M. N. Wolf, Christian Schumann, Ruth Groß, Tatiana Domratcheva
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Controlling Growth of Molecular Crystal Aggregates with Distinct Linear and Nonlinear Optical Properties
Supporting Information Controlling Growth of Molecular Crystal Aggregates with Distinct Linear and Nonlinear Optical Properties Yusen Luo,,,# Chunqing Yuan,,# Jialiang Xu*, Yongjun Li*, Huibiao Liu, Sergey
An experimental and theoretical study of the gas phase kinetics of atomic chlorine reactions with CH 3 NH 2, (CH 3 ) 2 NH, and (CH 3 ) 3 N
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Hydrogen Sorption Efficiency of Titanium Decorated Calix[4]pyrroles
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Supporting Information To. Microhydration of caesium compounds: Journal of Molecular Modeling
Supporting Information To Microhydration of caesium compounds: Cs, CsOH, CsI and Cs 2 I 2 complexes with one to three H 2 O molecules of nuclear safety interest Journal of Molecular Modeling Mária Sudolská
SUPPLEMENTARY MATERIAL. In Situ Spectroelectrochemical Investigations of Ru II Complexes with Bispyrazolyl Methane Triarylamine Ligands
10.1071/CH16555_AC CSIRO 2017 Australian Journal of Chemistry 2017, 70(5), 546-555 SUPPLEMENTARY MATERIAL In Situ Spectroelectrochemical Investigations of Ru II Complexes with Bispyrazolyl Methane Triarylamine
Supporting Information for: electron ligands: Complex formation, oxidation and
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9.4 6.60. 8.6 8.8 9.29 20.04 29.6 0.07 6. 40.92 4.64 06.0 6.29 6.0-0.00 Supplementary Information Conformational Analysis, Experimental and GIA-DFT C NMR Chemical Shift Calculation on 2 -Hydroxy-,4,-trimethoxy-chalcone
Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical
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SUPPORTING INFORMATION for Diastereoselective synthesis of nitroso acetals from (S,E)- -aminated nitroalkenes via multicomponent [4 + 2]/[3 + 2] cycloadditions promoted by LiCl or LiClO 4 Leandro Lara