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Recent advances in computational 31 P NMR: Part 2. Spin–spin coupling constants
Author(s) -
Krivdin Leonid B.
Publication year - 2020
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.4973
Subject(s) - chemistry , coupling constant , j coupling , computation , spin (aerodynamics) , chemical shift , nuclear magnetic resonance spectroscopy , computational chemistry , coupling (piping) , nuclear magnetic resonance , stereochemistry , quantum mechanics , physics , thermodynamics , algorithm , mechanical engineering , computer science , engineering
This is the second part of two closely related reviews dealing with the computation of 31 P nuclear magnetic resonance (NMR) parameters in a wide range of phosphorous containing compounds. The first part of this review concentrated primarily on the computation of 31 P NMR chemical shifts, whereas the second part concerns the calculation of spin–spin coupling constants involving phosphorus nucleus, focusing primarily on their stereochemical dependencies and stereodynamic behavior in particular classes of organophosphorus compounds. This review is dedicated to the Full Member of the Russian Academy of Sciences Professor Boris A. Trofimov in view of his invaluable contribution to the field of synthesis, NMR, and computation studies of organophosphorus compounds.