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One‐Bond 55 Mn, 13 C Coupling Constants, a Correction
Author(s) -
Rentsch Daniel,
von Philipsborn Wolfgang,
Torocheshnikov Vladimir
Publication year - 1996
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/(sici)1097-458x(199611)34:11<955::aid-omr4>3.0.co;2-1
Subject(s) - chemistry , coupling constant , quadrupole , coupling (piping) , carbon 13 nmr , spectral line , range (aeronautics) , computational chemistry , nuclear magnetic resonance , stereochemistry , atomic physics , physics , materials science , composite material , particle physics , astronomy , metallurgy
Previously published one‐bond 55 Mn, 13 C coupling constants have been recalculated using a revised lineshape fitting program, QUADR. The accuracy of the new data was confirmed by the simulation of quadrupole‐broadened but resolved 13 C and 19 F spectra of the model complexes K 3 [Co(CN) 6 ] and Li[AsF 6 ]. The 55 Mn, 13 C coupling constants lie in the range 128–189 Hz for Mn—CO bonds, 57–114 Hz for Mn—C(sp 2 ) bonds and 35–79 Hz for Mn—C(sp 3 ) bonds.