Inorganic Compounds

Compound Structure Formula Solvent Chemical Shift Splitting Pattern Coupling Constant in Hz Citation Notes
WF6 F6W not reported 165 s 0 Chem. Rev. 2015, 115, 1296-1306
SOF2 F2OS not reported 74.5 s 0 Angew Chem. Int. Ed. 2012, 51, 7847-7849
SF6 F6S D2O 58.14 s 0 Chem. Commun. 2011, 47, 457-459
SeF6 F6Se not reported 54 s 0 Chem. Rev. 2015, 115, 1296-1306
SO2F2 F2 O2 S not reported 33.5 s 0 Angew Chem. Int. Ed. 2012, 51, 7847-7849
[PF4]- F4 P CH3CN 9.3 dt 660, 108 J. Am. Chem. Soc. 1994, 116, 2850-2858 axial fluorine
BaF2 Ba F2 not reported -13 s 0 Angew Chem. Int. Ed. 2012, 51, 7847-7849
C52 H40 F12 O4 P2 S Ni MeCN – d3 -19.15, -30.6 sept, sept 7.3, 7.3 Inorg. Chem. 2020, 59, 9143-9151
[Ni(CF3)4(MeCN)2] C8 H6 F12 N2 Ni MeCN – d3 -19.2, -30.07 sept, sept 7.2, 7.2 Angew. Chem. Int. Ed. 2021, 60, 18162-18167
[(MeCN)Ni(CF3)5]- C7 H3 F15 N Ni MeCN – d3 -19.6, -28.8 app. undecet, q 8.2, 8.2 Angew. Chem. Int. Ed. 2021, 60, 18162-18167
CsOCF3 C Cs F3 O THF -21 br s 0 Angew Chem. Int. Ed. 2019, 58, 2392-2396
[NBu4]2[(PhO)Ni(CF3)3] C41 H77 F9 N2 O Ni MeCN – d3 -21.2, -31.3 sept, q 4.1, 4.1 Inorg. Chem. 2020, 59, 9143-9151
AgCF3 C Ag F3 dmf -22.4 d 121.7 Inorg. Chem. 1997, 36, 1464-1475 Ag-F coupling constant
C7 H2 F15 N Ni MeCN – d3 -24.3, -27.4 app. septet, q 7.5, 7.5 Angew. Chem. Int. Ed. 2021, 60, 18162-18167
[Ni(CF3)6]2- C6 F18 Ni MeCN – d3 -25.1 s 0 Angew. Chem. Int. Ed. 2021, 60, 18162-18167 putative
[NMe4][(MeCN)Ni(CF3)3] C9 H15 F9 N2 Ni MeCN – d3 -25.2, -31.04 sept, q 4.4, 4.4 Angew. Chem. Int. Ed. 2021, 60, 18162-18167
[Ag(CF3)2]- C2 Ag F6 dmf -25.3 d 100.1 Inorg. Chem. 1997, 36, 1464-1475 Ag-F coupling constant
C52 H40 F12 P2 Ni MeCN – d3 -26.24 s 0 Inorg. Chem. 2020, 59, 9143-9151
AgOCF3 C Ag F3O CD3CN -26.8 s 0 Organometallics 2012, 31, 7812-7815
[Cu(CF3)(I)]- C Cu F3 I CDCl3 -27.8 s 0 J. Am. Chem. Soc. 2021, 143, 14367-14378
[(MeCN)2Ni(CF3)2 C6 H6 F6 N2 Ni MeCN – d3 -27.8 s 0 Angew. Chem. Int. Ed. 2021, 60, 18162-18167
[Cu(Cl)(CF3)]- C49 H56 F3 Cl Cu2 CD2Cl2 -28.17 s 0 J. Fluorine Chem. 2020, 234, 109518
PF3 F3 P CDCl3 -33 d 1402.7 Inorg. Chem. 2008, 147, 9279-9292
[Cu(CF3)2] C2 Cu F6 CD2Cl2 -32.06 s 0 J. Fluorine Chem. 2020, 234, 109518
[Cu(CF3)(CF2CF3)]- C3 Cu 8 CD2Cl2 -32.14 s 0 J. Fluorine Chem. 2020, 234, 109518
[Ag(CF3)4]- C4 Ag F12 MeCN -32.3 d 40.7 Chem. Eur. J. 2021, 27, 15396-15405
[(SIMes)Cu(CF3)] C24 H28 F3 Cu CD2Cl2 -33.25 s 0 J. Fluorine Chem. 2020, 234, 109518
[PF4]- F4 P CH3CN -46.3 dt 1405, 108 J. Am. Chem. Soc. 1994, 116, 2850-2858 equatorial F
TeF6 F6 Te not reported -56.4 s 0 Chem. Rev. 2015, 115, 1296-1306
(NHC)2 Ni(F) (CF2Ph) C25 H37 F3 N4 Ni THF-d8 -71.7 d 17 J. Am. Chem. Soc. 2020, 142, 19360-19367 Ni-CF2Ph resonance
[PPh4][(Tp)Co(CF2CF3)] C39 H30 F15 N6 P B Co MeCN – d3 -78.7 s 0 Helv. Chim. Acta 2020, 103, e2000149
[NMe4][(MeCN)Ni(CF2CF3)3] C12 H15 F15 N2 Ni MeCN – d3 -79 q 8.6 Angew. Chem. Int. Ed. 2021, 60, 18162-18167
[(terpyridine)Co(CF2CF3)3] C21 H11 F15 N3 Co CD2Cl2 -79.07 p 14.8 Organometallics 2019, 38, 3169-3173
[mer-(MeCN)(bipyridine)Co(CF2CF3)3] C18 H11 F15 N3 Co MeCN – d3 -79.63 app sept 12.1 Organometallics 2019, 38, 3169-3173
[(terpyridine)Co(CF2CF3)3] C21 H11 F15 N3 Co CD2Cl2 -80.78 t 8.5 Organometallics 2019, 38, 3169-3173
[fac-(MeCN)3Co(CF2CF3)3] C12 H9 F15 N3 Co MeCN – d3 -81.1 s 0 Organometallics 2019, 38, 3169-3173
[NMe4][(MeCN)Ni(CF2CF3)3] C12 H15 F15 N2 Ni MeCN – d3 -81.2 t 5.6 Angew. Chem. Int. Ed. 2021, 60, 18162-18167
[mer-(MeCN)(bipyridine)Co(CF2CF3)3] C18 H11 F15 N3 Co MeCN – d3 -81.72 t 5.5 Organometallics 2019, 38, 3169-3173
[Cu(CF3)(CF2CF3)]- C3 Cu 8 CD2Cl2 -84.98 s 0 J. Fluorine Chem. 2020, 234, 109518
[Cu(CF2CF3)2]- C4 Cu F10 CD2Cl2 -85.01 s 0 J. Fluorine Chem. 2020, 234, 109518
[Cu(Cl)(CF2CF3)]- C2 Cl Cu F5 CD2Cl2 -85.1 s 0 J. Fluorine Chem. 2020, 234, 109518
[(SIMes)Cu(CF2CF3)] C25 F28 F5 Cu CD2Cl2 -85.64 s 0 J. Fluorine Chem. 2020, 234, 109518
[PPh4][(Tp)Co(CF2CF3)3] C39 H30 F15 N6 P B Co MeCN – d3 -90.3 s 0 Helv. Chim. Acta 2020, 103, e2000149
[mer-(MeCN)(bipyridine)Co(CF2CF3)3] C18 H11 F15 N3 Co MeCN – d3 -93.86 m 0 Organometallics 2019, 38, 3169-3173 m spans range
[fac-(MeCN)3Co(CF2CF3)3] C12 H9 F15 N3 Co MeCN – d3 -95.6 s 0 Organometallics 2019, 38, 3169-3173
[(terpyridine)Co(CF2CF3)3] C21 H11 F15 N3 Co CD2Cl2 -96.08 m 0 Organometallics 2019, 38, 3169-3173 m spans range
[NMe4][(MeCN)Ni(CF2CF3)3] C12 H15 F15 N2 Ni MeCN – d3 -97.2 m 0 Angew. Chem. Int. Ed. 2021, 60, 18162-18167 m spans range
[mer-(MeCN)(bipyridine)Co(CF2CF3)3] C18 H11 F15 N3 Co MeCN – d3 -99.93 m 0 Organometallics 2019, 38, 3169-3173 m spans range
[mer-(MeCN)(bipyridine)Co(CF2CF3)3] C18 H11 F15 N3 Co MeCN – d3 -100.71 m 0 Organometallics 2019, 38, 3169-3173 m spans range
[(terpyridine)Co(CF2CF3)3] C21 H11 F15 N3 Co CD2Cl2 -103.84 m 0 Organometallics 2019, 38, 3169-3173 m spans range
[mer-(MeCN)(bipyridine)Co(CF2CF3)3] C18 H11 F15 N3 Co MeCN – d3 -104.82 m 0 Organometallics 2019, 38, 3169-3173 m spans range
[mer-(MeCN)(bipyridine)Co(CF2CF3)3] C18 H11 F15 N3 Co MeCN – d3 -105.53 m 0 Organometallics 2019, 38, 3169-3173 m spans range
[(MeCN)2Ni(C4F8)] MeCN – d3 -106.0, -139.4 s, s 0 Organometallics, 2013, 32, 7552-7558
CaF2 Ca F2 not reported -107 s 0 Angew Chem. Int. Ed. 2012, 51, 7847-7849
[NMe4][(MeCN)Ni(CF2CF3)3] C12 H15 F15 N2 Ni MeCN – d3 -108.4 m 0 Angew. Chem. Int. Ed. 2021, 60, 18162-18167 m spans range
[Cu(Cl)(CF2CF3)]- C2 Cl Cu F5 CD2Cl2 -113.56 s 0 J. Fluorine Chem. 2020, 234, 109518
[Cu(CF3)(CF2CF3)]- C3 Cu 8 CD2Cl2 -118.01 s 0 J. Fluorine Chem. 2020, 234, 109518
[Cu(CF2CF3)2]- C4 Cu F10 CD2Cl2 -118.04 s 0 J. Fluorine Chem. 2020, 234, 109518
[(SIMes)Cu(CF2CF3)] C25 F28 F5 Cu CD2Cl2 -119.43 s 0 J. Fluorine Chem. 2020, 234, 109518
[PF6]- F6 P THF-d8 -138.4 d 255.2 Organometallics 2021, 40, 3585-3590 Counter-ion for cobalt complex
Difluoromethyl Trimethyl silane -140 Guide to F NMR for Org Chemists
[BF4]- B F4 CD3CN -152 s 0 Organometallics 2021, 40, 3585-3590 Counter-ion for cobalt complex
BF3 OEt2 C4 H10 B F3 not provided -154 s 0 Guide to F NMR for Org Chemists
SiF4 F4 Si MeCN/CH2Cl2 -162 s 0 Can. J. Chem. 1977, 55, 3845-3849 will have Si-F couplings too
HF H F not provided -200 s 0 Angew Chem. Int. Ed. 2012, 51, 7847-7849
F2O F2 O not provided -248 s 0 Angew Chem. Int. Ed. 2012, 51, 7847-7849
C25 H37 F3 N4 Ni THF-d8 -351.6 t 17 J. Am. Chem. Soc. 2020, 142, 19360-19367 Ni-F resonance
F2 (liquid) F2 not provided -422 s 0 Angew Chem. Int. Ed. 2012, 51, 7847-7849
C60 H40 F32 P2 Co CD2Cl2 -427.3 s 0 J. Organomet. Chem. 2021, 949, 121974 bridging F resonance