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Transition metal NMR chemical shifts and polarizability effect in organometallic complexes
Author(s) -
Egorochkin Alexey N.,
Kuznetsova Olga V.,
Khamaletdinova Nadiya M.,
Kurskii Yury A.,
DomratchevaLvova Lada G.,
Domrachev Georgy A.
Publication year - 2009
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/mrc.2465
Subject(s) - chemistry , polarizability , substituent , chemical shift , transition metal , atom (system on chip) , group 2 organometallic chemistry , resonance (particle physics) , carbon 13 nmr , coupling constant , crystallography , computational chemistry , metal , stereochemistry , molecule , organic chemistry , atomic physics , catalysis , physics , particle physics , computer science , embedded system
The literature data on substituent influence on the 51 V, 55 Mn, 57 Fe, 59 Co, 61 Ni, 95 Mo, 103 Rh, 183 W, 187 Os and 195 Pt NMR chemical shifts (δ) and on J (M, P; M = Mn, Fe, Mo, Rh, W, Os) coupling constants have been analyzed for 30 series of the organometallic complexes. It has been established for the first time that the δ and J values depend on the inductive, resonance and polarizability effects of substituents. The polarizability effect is caused by the partial charge on the central M atom. The contribution of this effect ranges from 3 to 86%. Copyright © 2009 John Wiley & Sons, Ltd.