NMR Frequencies vs. Bruker Field Strengths sorted by increasing atomic number

Transcript

1 NMR Frequency Tables NMR Frequencies vs. Bruker Field Strengths sorted by increasing atomic number Isotope Spin Nat. Receptivity Abund. (%) Natural Molar rel. 13 C rel. 1 H Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla) Freq. to 3 decimals are experimental for IUPAC Standards; freq. to 2 dec. are calculated from magn. moments H 1/ E E H E E H 1/2-1.21E He 1/2 1.34E E E Li E E Li 3/ E E Be 3/ E E B E E B 3/ E E C 1/ E E N E E N 1/ E E O 5/ E E F 1/ E E Ne 3/ E E Na 3/ E E Mg 5/ E E Al 5/ E E Si 1/ E E P 1/ E E S 3/ E E Cl 3/ E E Cl 3/ E E K 3/ E E K 3/ E E Ca 7/ E E Sc 7/ E E Ti 5/ E E Ti 7/ E E V E E V 7/ E E Cr 3/ E E Mn 5/ E E Fe 1/ E E Co 7/ E E Ni 3/ E E Cu 3/ E E Cu 3/ E E Zn 5/ E E Ga 3/ E E Ga 3/ E E

2 NMR Frequency Tables NMR Frequencies vs. Bruker Field Strengths sorted by increasing atomic number Isotope Spin Nat. Receptivity Abund. (%) Natural Molar rel. 13 C rel. 1 H Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla) Freq. to 3 decimals are experimental for IUPAC Standards; freq. to 2 dec. are calculated from magn. moments Ge 9/ E E As 3/ E E Se 1/ E E Br 3/ E E Br 3/ E E Kr 9/ E E Rb 5/ E E Rb 3/ E E Sr 9/ E E Y 1/ E E Zr 5/ E E Nb 9/ E E Mo 5/ E E Mo 5/ E E Tc 9/2-3.82E Ru 5/ E E Ru 5/ E E Rh 1/ E E Pd 5/ E E Ag 1/ E E Ag 1/ E E Cd 1/ E E Cd 1/ E E In 9/ E E In 9/ E E Sn 1/ E E Sn 1/ E E Sn 1/ E E Sb 5/ E E Sb 7/ E E Te 1/ E E Te 1/ E E I 5/ E E Xe 1/ E E Xe 3/ E E Cs 7/ E E Ba 3/ E E Ba 3/ E E La E E La 7/ E E Pr 5/ E E

3 NMR Frequency Tables NMR Frequencies vs. Bruker Field Strengths sorted by increasing atomic number Isotope Spin Nat. Receptivity Abund. (%) Natural Molar rel. 13 C rel. 1 H Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla) Freq. to 3 decimals are experimental for IUPAC Standards; freq. to 2 dec. are calculated from magn. moments Nd 7/ E E Nd 7/ E E Sm 7/ E E Sm 7/ E E Eu 5/ E E Eu 5/ E E Gd 3/ E E Gd 3/ E E Tb 3/ E E Dy 5/ E E Dy 5/ E E Ho 7/ E E Er 7/ E E Tm 1/ E E Yb 1/ E E Yb 5/ E E Lu 7/ E E Lu E E Hf 7/ E E Hf 9/ E E Ta 7/ E E W 1/ E E Re 5/ E E Re 5/ E E Os 1/ E E Os 3/ E E Ir 3/ E E Ir 3/ E E Pt 1/ E E Au 3/ E E Hg 1/ E E Hg 3/ E E Tl 1/ E E Tl 1/ E E Pb 1/ E E Bi 9/ E E Po 1/2-1.44E Pa 3/ E E U 7/ E E

4 NMR Frequency Tables NMR Frequencies vs. Bruker Field Strengths sorted with decreasing Larmor frequency Isotope Spin Nat. Receptivity Abund. (%) Natural Molar rel. 13 C rel. 1 H Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla) Freq. to 3 decimals are experimental for IUPAC Standards; freq. to 2 dec. are calculated from magn. moments H 1/2 1.21E H 1/ E E F 1/ E E He 1/2 1.34E E E Tl 1/ E E Tl 1/ E E P 1/ E E Li 3/ E E Sn 1/ E E Sn 1/ E E Rb 3/ E E Sn 1/ E E B 3/ E E Te 1/ E E Pr 5/ E E Ga 3/ E E Cu 3/ E E Xe 1/ E E Br 3/ E E Cu 3/ E E Na 3/ E E V 7/ E E Te 1/ E E Al 5/ E E C 1/ E E Br 3/ E E Eu 5/ E E Mn 5/ E E Nb 9/ E E Po 1/2 1.44E Sc 7/ E E Tb 3/ E E Ga 3/ E E Pa 3/ E E Sb 5/ E E Co 7/ E E Re 5/ E E Re 5/ E E Tc 9/2 3.82E Cd 1/ E E In 9/ E E

5 NMR Frequency Tables NMR Frequencies vs. Bruker Field Strengths sorted with decreasing Larmor frequency Isotope Spin Nat. Receptivity Abund. (%) Natural Molar rel. 13 C rel. 1 H Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla) Freq. to 3 decimals are experimental for IUPAC Standards; freq. to 2 dec. are calculated from magn. moments In 9/ E E Pt 1/ E E Cd 1/ E E Ho 7/ E E Pb 1/ E E I 5/ E E Si 1/ E E Se 1/ E E Hg 1/ E E Yb 1/ E E As 3/ E E Bi 9/ E E H E E Li E E La 7/ E E Be 3/ E E O 5/ E E La E E Cs 7/ E E Sb 7/ E E Ta 7/ E E Lu 7/ E E Ba 3/ E E Eu 5/ E E B E E N 1/ E E V E E Ba 3/ E E Cl 3/ E E Rb 5/ E E Zr 5/ E E Ni 3/ E E Tm 1/ E E Xe 3/ E E Cl 3/ E E Lu E E Ne 3/ E E Os 3/ E E S 3/ E E N E E Ca 7/ E E

6 NMR Frequency Tables NMR Frequencies vs. Bruker Field Strengths sorted with decreasing Larmor frequency Isotope Spin Nat. Receptivity Abund. (%) Natural Molar rel. 13 C rel. 1 H Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla) Freq. to 3 decimals are experimental for IUPAC Standards; freq. to 2 dec. are calculated from magn. moments Mo 5/ E E Hg 3/ E E Mo 5/ E E Zn 5/ E E Mg 5/ E E Cr 3/ E E Ti 7/ E E Ti 5/ E E Nd 7/ E E Ru 5/ E E Y 1/ E E Yb 5/ E E Dy 5/ E E K 3/ E E Ag 1/ E E Ru 5/ E E Pd 5/ E E Sr 9/ E E Sm 7/ E E W 1/ E E Hf 7/ E E Ag 1/ E E Gd 3/ E E Kr 9/ E E Ge 9/ E E Dy 5/ E E Sm 7/ E E Nd 7/ E E Fe 1/ E E Rh 1/ E E Gd 3/ E E Er 7/ E E K 3/ E E Hf 9/ E E Os 1/ E E Ir 3/ E E U 7/ E E Ir 3/ E E Au 3/ E E

7 NMR Properties of Selected Isotopes Z = proton number, A = mass number, Half-Life where appropriate in years (y), days (d), hours (h), minutes (m); I = spin quantum number; NA = natural abundance (IUPAC 2003); µ z = z-component of nuclear magnetic moment in units of the nuclear magneton (µ N ); Q = electric quadrupole moment in units of fm 2 = m 2 (1 fm 2 = 0.01 barns); calc. magnetogyric ratio γ = µ z /h - l. Note: for µ z and Q the experimental uncertainty begins with the last significant digit. Isotope Spin Nat. Abund. Rel. Nucl. Quadrupole Magnetogyric (half-life) 2003 Magn. Mom. Moment Ratio (TICE 2001) (measured) (calc., free atom) Z A Sym Name I NA (%) µ z / µ N Q [fm 2 ] γ [10 7 rad s -1 T -1 ] 0 1 n Neutron 1/ H Hydrogen 1/ H (D) Deuterium H (T) Tritium (12.32 y) 1/ He Helium 1/ Li Lithium Li Lithium 3/ Be Beryllium 3/ s B Boron s B Boron 3/ s C Carbon 1/ N Nitrogen s N Nitrogen 1/ O Oxygen 5/ F Fluorine 1/ Ne Neon 3/ s Na Sodium (Natrium) 3/ s Mg Magnesium 5/ s Al Alumin(i)um (7.17E5 y) s Al Alumin(i)um 5/ s Si Silicon 1/ P Phosphorus 1/ S Sulfur 3/ s Cl Chlorine 3/ s Cl Chlorine 3/ s Ar Argon (269 y) 7/ K Potassium (Kalium) 3/ s K Potassium (1.248E9 y) s K Potassium 3/ s Ca Calcium (1.02E5 y) 7/ s Ca Calcium 7/ s Sc Scandium 7/ s Ti Titanium 5/ s Ti Titanium 7/ s V Vanadium (1.4E17 y) s V Vanadium 7/ s Cr Chromium 3/ Mn Manganese (3.74E6 y) 7/ Mn Manganese 5/ Fe Iron, Ferrum 1/ Fe Iron ( d) 3/ Co Cobalt 7/ s Co Cobalt ( d) s Ni Nickel 3/ Cu Copper, Cuprum 3/ s Cu Copper, Cuprum 3/ s Zn Zinc 5/ s Ga Gallium 3/ s Ga Gallium 3/ s Ge Germanium 9/ s As Arsenic 3/ s Se Selenium 1/

8 NMR Properties of Selected Isotopes Theor. NMR freq. ν o calc. from γ and scaled to 1 H = MHz; Molar Receptivity R M (H) relative to equal number of protons is proportional to γ 3 I (I+1); Receptivity at nat. abundance R NA (C) relative to 13 C; recommended Reference sample (IUPAC 2001); experimental reson. freq. of ref. sample on the unified Ξ scale (at B 0 where TMS ( 1 H) = MHz). Numbers containing E are in exponential format. Theoretical Molar Receptivity Reference Sample Measured. NMR Freq. Receptivity at Nat. Abund. NMR Freq. (free atom) (rel. 1 H) (rel. 13 C) (rel. 1 H ref.) A Sym ν o [MHz] R M(H) R NA(C) Reference Ξ [MHz] 1 n E 01 1 H E E+03 1% Me 4Si in CDCl D E E 03 (CD 3) 4Si neat T E+00 TMS-T He E E 03 He gas Li E E m LiCl in D 2O Li E E m LiCl in D 2O Be E E m BeSO 4 in D 2O B E E+01 15% BF 3.Et 2O in CDCl B E E+02 15% BF 3.Et 2O in CDCl C E E+00 1% Me 4Si in CDCl DSS in D 2O N E E+00 MeNO % CDCl N E E 02 MeNO % CDCl liquid NH O E E 02 D 2O F E E+03 CCl 3F Ne E E 02 Neon gas, 1.1 MPa Na E E M NaCl in D 2O Mg E E M MgCl 2 in D 2O Al E Al E E m Al(NO 3) 3 in D 2O Si E E+00 1% Me 4Si in CDCl P E E+02 H 3PO 4 external (MeO) 3PO internal S E E 01 (NH 4) 2SO 4 in D 2O (sat.) Cl E E M NaCl in D 2O Cl E E M NaCl in D 2O Ar E K E E M KCl in D 2O K E E M KCl in D 2O K E E M KCl in D 2O Ca E Ca E E M CaCl 2 in D 2O Sc E E M Sc(NO 3) 3 in D 2O Ti E E 01 TiCl 4 neat + 10% C 6D Ti E E+00 TiCl 4 neat + 10% C 6D V E E 01 VOCl 3 + 5% C 6D V E E+03 VOCl 3 + 5% C 6D Cr E E 01 K 2CrO 4 in D 2O (sat.) Mn E Mn E E m KMnO 4 in D 2O Fe E E 03 Fe(CO) % C 6D Fe E Co E E m K 3[Co(CN) 6] in D 2O Co E Ni E E 01 Ni(CO) 4 + 5% C 6D Cu E E+02 [Cu(CH 3CN) 4[ClO 4] in CH 3CN (sat.) + 5% C 6D Cu E E+02 [Cu(CH 3CN) 4[ClO 4] in CH 3CN (sat.) + 5% C 6D Zn E E 01 Zn(NO 3) 3 in D 2O (sat.) Ga E E m Ga(NO 3) 3 in D 2O Ga E E m Ga(NO 3) 3 in D 2O Ge E E 01 Me 4Ge + 5% C 6D As E E M NaAsF 6 in CD 3CN Se E E+00 Me 2Se + 5% C 6D

9 NMR Properties of Selected Isotopes Z A Sym Name I NA (%) µ z / µ N Q [fm 2 ] γ [10 7 rad s -1 T -1 ] 79 Se Selenium (2.95E5 y) 7/ s Br Bromine 3/ s Br Bromine 3/ s Kr Krypton 9/ s Rb Rubidium 5/ s Rb Rubidium (4.81E10 y) 3/ s Sr Strontium 9/ s Y Yttrium 1/ Zr Zirconium 5/ s Nb Niobium 9/ s Mo Molybdenum 5/ s Mo Molybdenum 5/ s Mo Molybdenum ( h) 1/ Tc Technetium (2.1E5 y) 9/ s Ru Ruthenium 5/ s Ru Ruthenium 5/ s Rh Rhodium 1/ Pd Palladium 5/ s Ag Silver, Argentum 1/ Ag Silver 1/ Cd Cadmium 1/ Cd Cadmium (7.7E15 y) 1/ In Indium 9/ s In Indium (4.41E14 y) 9/ Sn Tin 1/ Sn Tin 1/ Sn Tin (Stannum) 1/ Sb Antimony (Stibium) 5/ Sb Antimony 7/ Sb Antimony ( y) 7/ Te Tellurium (9.2E16 y) 1/ Te Tellurium 1/ I Iodine 5/ s I Iodine (1.57E7 y) 7/ s Xe Xenon 1/ Xe Xenon 3/ s Cs C(a)esium 7/ s Ba Barium 3/ Ba Barium 3/ La Lanthanum (6E4 y) 7/ La Lanthanum (1.05E11 y) La Lanthanum 7/ Ce Cerium ( d) 3/ Ce Cerium ( d) 7/ Pr Praeseodymium 5/ s Nd Neodymium 7/ Nd Neodymium 7/ Pm Promethium (17.7 y) 5/ s Sm Samarium (1.06E11 y) 7/ s Sm Samarium 7/ s Eu Europium 5/ Eu Europium 5/ s Gd Gadolinium 3/ Gd Gadolinium 3/ Tb Terbium 3/ Dy Dysprosium 5/ s Dy Dysprosium 5/ s Ho Holmium (4570 y) 7/ Ho Holmium 7/ Ho Holmium (1200 y) s Er Erbium 7/ Er Erbium (9.40 d) 1/ Tm Thulium 1/ Tm Thulium (1.92 y) 1/ Yb Ytterbium 1/ Yb Ytterbium 5/ Lu Lutetium 7/

10 NMR Properties of Selected Isotopes A Sym ν o [MHz] R M(H) R NA(C) Reference Ξ [MHz] 79 Se E Br E E M NaBr in D 2O Br E E M NaBr in D 2O Kr E E+00 Kr gas Rb E E M RbCl in D 2O Rb E E M RbCl in D 2O Sr E E M SrCl 2 in D 2O Y E E 01 Y(NO 3) 3 in H 2O/D 2O Zr E E+00 Zr(C 5H 5) 2Cl 2 in CH 2Cl 2 (sat.) + 5% C 6D Nb E E+03 K[NbCl 6] in CH 3CN / CD 3CN (sat.) Mo E E+00 2 M Na 2MoO 4 in D 2O Mo E E+00 2 M Na 2MoO 4 in D 2O Mo E Tc E 01 NH 4TcO 4 in H 2O / D 2O Ru E E M K 4[Ru(CN) 6] in D 2O Ru E E M K 4[Ru(CN) 6] in D 2O Rh E E 01 Rh(acac) 3 in CDCl 3 (sat.) Pd E E+00 K 2PdCl 6 in D 2O (sat.) Ag E E 01 AgNO 3 in D 2O (sat.) Ag E E 01 AgNO 3 in D 2O (sat.) Cd E E+00 Me 2Cd neat liq Cd E E+00 Me 2Cd neat liq In E E M In(NO 3) 3 in D 2O M DNO In E E M In(NO 3) 3 in D 2O M DNO Sn E E 01 Me 4Sn + 5% C 6D Sn E E+01 Me 4Sn + 5% C 6D Sn E E+01 Me 4Sn + 5% C 6D Sb E E+02 KSbCl 6 in CH 3CN / CD 3CN (sat.) Sb E E+02 KSbCl 6 in CH 3CN / CD 3CN (sat.) Sb E Te E E 01 Me 2Te + 5% C 6D Te E E+01 Me 2Te + 5% C 6D I E E M KI in D 2O I E Xe E E+01 XeOF 4 neat liq Xe E E+00 XeOF 4 neat liq Cs E E M CsNO 3 in D 2O Ba E E M BaCl 2 in D 2O Ba E E M BaCl 2 in D 2O La E La E E 01 LaCl 3 in D 2O / H 2O La E E M LaCl 3 in D 2O Ce E Ce E Pr E E Nd E E Nd E E Pm E Sm E E Sm E E Eu E E Eu E E Gd E E Gd E E Tb E E Dy E E Dy E E Ho E Ho E E Ho E 02 (+6 kev excited state) 167 Er E E Er E Tm E E Tm E Yb E E M Yb(η-C 5Me 5) 2 (THF) 2 in THF Yb E E Lu E E+02 11

11 NMR Properties of Selected Isotopes Z A Sym Name I NA (%) µ z / µ N Q [fm 2 ] γ [10 7 rad s -1 T -1 ] 176 Lu Lutetium (3.78E10 y) Hf Hafnium 7/ Hf Hafnium 9/ Ta Tantalum (1.82 y) 7/ Ta Tantalum (1.2E15 y) Ta Tantalum 7/ W Tungsten (Wolfram) 1/ Re Rhenium 5/ Re Rhenium (4.35E10 y) 5/ Os Osmium 1/ Os Osmium 3/ Ir Iridium 3/ Ir Iridium 3/ Pt Platinum 1/ Au Gold, Aurum 3/ Hg Mercury, Hydrargyrum 1/ Hg Mercury 3/ Tl Thallium 1/ Tl Thallium 1/ Pb Lead (1.73E7 y) 5/ Pb Lead (Plumbum) 1/ Bi Bismuth 9/ Po Polonium (102 y) 1/ Rn Radon (14.6 h) 1/ Fr Francium (19.3 m) Ra Radium (14.9 d) 1/ Ac Actinium (21.77 y) 3/ Th Thorium (7.34E3 y) 5/ Pa Protactinium (3.25E4 y) 3/ U Uranium (1.592E5 y) 5/ U Uranium (7.04E8 y) 7/ U Uranium (4.468E9 y) Np Neptunium (2.14E6 y) 5/ Pu Plutonium (2.410E4 y) 1/ Pu Plutonium (14.4 y) 5/ Am Americium (432.7 y) 5/ Am Americium (7.37E3 y) 5/ Cm Curium (29.1 y) 5/ Cm Curium (8.48E3 y) 7/ v Cm Curium (1.56E7 y) 9/ Bk Berkelium (1.4E2 y) (3/2) no data 249 Bk Berkelium (320 d) 7/ v Cf Californium (9.0E2 y) 1/2 no data Es Einsteinium (472 d) (5) no data 253 Es Einsteinium (20.47 d) 7/ Fm Fermium (3.0 d) (1/2) no data 257 Fm Fermium (100.5 d) (9/2) no data This Table (updated Oct. 2009) was assembled and calculated by W.E. Hull using information from the following sources: De Laeter et al. Pure Appl Chem 75 (2003) (isotope abundances) Harris RK, et al. Pure Appl Chem 73 (2001) and 80 (2008) (shift references) Mills I, et al. Quantities, Units and Symbols in Physical Chemistry (IUPAC recommendations 1993, corrections 1995). Blackwell Scientific (1993, 1995). Pyykkö P. Spectroscopic nuclear quadrupole moments. Mol. Phys. 99 (2001)

12 NMR Properties of Selected Isotopes A Sym ν o [MHz] R M(H) R NA(C) Reference Ξ [MHz] 176 Lu E E Hf E E Hf E E Ta E Ta E E 02 (+77 kev excited state) 181 Ta E E+02 KTaCl 6 in CH 3CN (sat.) W E E 02 1 M Na 2WO 4 in D 2O Re E E M KReO 4 in D 2O Re E E M KReO 4 in D 2O Os E E M OsO 4 in CCl Os E E M OsO 4 in CCl Ir E E Ir E E Pt E E M Na 2PtCl 6 in D 2O Au E E Hg E E+00 Me 2Hg neat liq. (toxic!) Hg E E+00 Me 2Hg neat liq. (toxic!) Tl E E+02 Tl(NO 3) Tl E E+02 Tl(NO 3) Pb E Pb E E+01 Me 4Pb + 5% C 6D Bi E E+02 Bi(NO 3) 2 sat. in conc. HNO % D 2O Po E Rn E Fr E Ra E Ac E Th E Pa E E U E U E E 03 UF % C 6D U 237 Np E Pu E Pu E Am E Am E Cm E Cm E Cm E Bk E Es E 01 Stone NJ. Table of Nuclear Magnetic Dipole and Electric Quadrupole Moments (2001) [ LBNL Isotopes Project Nuclear Data Dissemination Home Page. Table of Nuclear Moments [ NUDAT 2 half-life data: 13

13 Isotopes sorted according to spin and nucleon numbers Isotope Spin 1 H Hydrogen 1/2 3 H Tritium * 1/2 3 He Helium 1/2 13 C Carbon 1/2 15 N Nitrogen 1/2 19 F Fluorine 1/2 29 Si Silicon 1/2 31 P Phosphorus 1/2 57 Fe Iron 1/2 77 Se Selenium 1/2 89 Y Yttrium 1/2 103 Rh Rhodium 1/2 107 Ag Silver 1/2 109 Ag Silver 1/2 111 Cd Cadmium 1/2 113 Cd Cadmium 1/2 115 Sn Tin 1/2 117 Sn Tin 1/2 119 Sn Tin 1/2 123 Te Tellurium 1/2 125 Te Tellurium 1/2 129 Xe Xenon 1/2 169 Tm Thulium 1/2 171 Yb Ytterbium 1/2 183 W Tungsten 1/2 187 Os Osmium 1/2 195 Pt Platinum 1/2 199 Hg Mercury 1/2 203 Tl Thallium 1/2 205 Tl Thallium 1/2 207 Pb Lead 1/2 209 Po Polonium * 1/2 211 Rn Radon * 1/2 225 Ra Radium * 1/2 239 Pu Plutonium * 1/2 251 Cf Californium * 1/2 2 H Deuterium 1 6 Li Lithium 1 14 N Nitrogen 1 7 Li Lithium 3/2 9 Be Beryllium 3/2 11 B Boron 3/2 21 Ne Neon 3/2 23 Na Sodium 3/2 33 S Sulfur 3/2 35 Cl Chlorine 3/2 37 Cl Chlorine 3/2 Isotope Spin 39 K Potassium 3/2 41 K Potassium 3/2 53 Cr Chromium 3/2 61 Ni Nickel 3/2 63 Cu Copper 3/2 65 Cu Copper 3/2 69 Ga Gallium 3/2 71 Ga Gallium 3/2 75 As Arsenic 3/2 79 Br Bromine 3/2 81 Br Bromine 3/2 87 Rb Rubidium 3/2 131 Xe Xenon 3/2 135 Ba Barium 3/2 137 Ba Barium 3/2 139 Ce Cerium * 3/2 155 Gd Gadolinium 3/2 157 Gd Gadolinium 3/2 159 Tb Terbium 3/2 189 Os Osmium 3/2 191 Ir Iridium 3/2 193 Ir Iridium 3/2 197 Au Gold 3/2 201 Hg Mercury 3/2 227 Ac Actinium * 3/2 231 Pa Protactinium * 3/2 17 O Oxygen 5/2 25 Mg Magnesium 5/2 27 Al Alumin(i)um 5/2 47 Ti Titanium 5/2 55 Mn Manganese 5/2 67 Zn Zinc 5/2 85 Rb Rubidium 5/2 91 Zr Zirconium 5/2 95 Mo Molybdenum 5/2 97 Mo Molybdenum 5/2 99 Ru Ruthenium 5/2 101 Ru Ruthenium 5/2 105 Pd Palladium 5/2 121 Sb Antimony 5/2 127 I Iodine 5/2 141 Pr Praeseodymium 5/2 145 Pm Promethium * 5/2 151 Eu Europium 5/2 153 Eu Europium 5/2 161 Dy Dysprosium 5/2 163 Dy Dysprosium 5/2 Isotope Spin 173 Yb Ytterbium 5/2 185 Re Rhenium 5/2 187 Re Rhenium 5/2 229 Th Thorium * 5/2 237 Np Neptunium * 5/2 241 Am Americium * 5/2 243 Am Americium * 5/2 10 B Boron 3 39 Ar Argon * 7/2 43 Ca Calcium 7/2 45 Sc Scandium 7/2 49 Ti Titanium 7/2 51 V Vanadium 7/2 59 Co Cobalt 7/2 123 Sb Antimony 7/2 133 Cs C(a)esium 7/2 139 La Lanthanum 7/2 143 Nd Neodymium 7/2 145 Nd Neodymium 7/2 147 Sm Samarium 7/2 149 Sm Samarium 7/2 165 Ho Holmium 7/2 167 Er Erbium 7/2 175 Lu Lutetium 7/2 177 Hf Hafnium 7/2 181 Ta Tantalum 7/2 235 U Uranium * 7/2 245 Cm Curium * 7/2 249 Bk Berkelium * 7/2 253 Es Einsteinium * 7/2 73 Ge Germanium 9/2 83 Kr Krypton 9/2 87 Sr Strontium 9/2 93 Nb Niobium 9/2 99 Tc Technetium * 9/2 113 In Indium 9/2 115 In Indium 9/2 179 Hf Hafnium 9/2 209 Bi Bismuth 9/2 138 La Lanthanum Fr Francium * 5 50 V Vanadium Lu Lutetium 7 * Unstable isotope with lifetime suitable for NMR. 14

14 Properties of Selected Deuterated Solvents for NMR Solvent Formula MW ave Density [d 4 20 ] MP [ C] This Table summarizes the physical properties of deuterated solvents and the chem. shifts (rel. to TMS) and deuterium couplings for the solvent signals and the approximate shifts for residual water (last column). BP [ C] RI [n D 20 ] Dielec. [ ] 1 H shift (Mult.) [ppm] Acetic Acid-d4 C 2D 4O (5) 2.2 J(HD) [Hz] 13 C Shift (Mult.) [ppm] J(CD) [Hz] (7) 20 Acetone-d6 C 3D 6O (5) (7) (13) Acetonitrile-d3 C 2D 3N (5) (7) H 2O/ HDO Shift [ppm] / Benzene-d6 C 6D (3) Chloroform-d1 CDCl (3) Cyclohexane-d12 C 6D 12O (5) Deuterium oxide D 2O ,2-Dichloroethane-d4 C 2D 4Cl (5) 43.6 (5) 23.5 Dichloromethane-d2 CD 2Cl (3) (5) Diethylether-d10 C 4D 10O (m) 1.07 (m) Diethylene glycol dimethyl ether-d14 (diglyme-d14) 1,2-Dimethoxyethane-d10 (glyme-d10) N,N-Dimethylformamide-d7 C 6D 14O (br) 3.40 (br) 3.22 (5) 1.5 C 4D 10O (m) 3.22 (5) 1.6 C 3D 7NO (5) 2.75 (5) (5) 14.5 (7) 70.7 (5) 70 (5) 57.7 (7) 71.7 (5) 57.8 (7) (3) (7) (7) Dimethyl sulfoxide-d6 C 2D 6O S (5) (7) ,4-Dioxane-d6 C 4D 8O (m) (5) Ethanol-d6 C 2D 6O (m) (5) (7) Methanol-d4 CD 4O (5) (7) 21.4 Methyl cyclohexane-d14 C 7D Nitrobenzene-d5 C 6D 5NO (br) 7.67 (br) 7.50 (br) (3) (3) (3) Nitromethane-d3 CD 3NO (5) 62.8 (7) Propanol-d8 C 3D 8O (br) 1.10 (br) Pyridine-d5 C 5D 5N (3) 24.2 (7) (3) (3) (3) Tetrachloroethane-d2 C 2D 2Cl (5) 74.2 (5) 1.5 Tetrahydrofuran-d8 C 4D 8O Toluene-d8 C 7D ,2,2-Trifluoroacetic Acid-d (m) (m) 2.09 (5) (5) (5) (3) (3) (3) 20.4 (7) C 2DF 3O (4) (4) 2,2,2-Trifluoroethanol-d3 C 2D 3F (4x3) (9) (4) 61.5 (4x5)

15 1 H Chemical Shifts in Organic Compounds 13 C Chemical Shifts in Organic Compounds* * Relative to internal tetramethylsilane. 16

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