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13 C, 13 C coupling constants of isotopically perturbed molecular systems: Cyclohexane, benzene
Author(s) -
Roznyatovsky Vitaliy A.,
Sergeyev Nickolay M.,
Chertkov Vyacheslav A.
Publication year - 1991
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.1260290404
Subject(s) - cyclohexane , chemistry , benzene , coupling constant , carbon 13 , kinetic isotope effect , chemical shift , benzene derivatives , analytical chemistry (journal) , deuterium , atomic physics , chemical synthesis , physics , organic chemistry , nuclear physics , biochemistry , in vitro , particle physics
Abstract 13 C, 13 C coupling constants in benzene and cyclohexane were measured using monodeuteriated derivatives where 13 C, 13 C two‐spin subsystems become slightly non‐equivalent (benzene, 1 J = 55.88, 2 J = 2.46, 3 J = 10.04; cyclohexane, 1 J = 33.10, 2 J = 2.12, = 3 J 2.05; all couplings in hertz within the error limits of 0.01 Hz). 12 C/ 13 C isotope effects for the 13 C chemical shifts were found to be non‐additive.