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An increment system for deuterium isotope effects on 13 C chemical shifts of methylated benzenes
Author(s) -
Berger Stefan,
Diehl Bernd W. K.
Publication year - 1986
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.1260241210
Subject(s) - chemistry , deuterium , kinetic isotope effect , chemical shift , carbon atom , isotope , deuterium nmr , carbon 13 , carbon fibers , coupling constant , atom (system on chip) , computational chemistry , carbon 13 nmr , organic chemistry , ring (chemistry) , atomic physics , nuclear physics , physics , materials science , particle physics , composite number , computer science , composite material , embedded system
The complete series of all possible benzenes bearing one deuterium atom and one to five methyl groups was synthesized. The deuterium isotope effects on the carbon chemical shifts of the aromatic and aliphatic carbon atoms were measured and shown to obey an empirical increment system. The isotope effects over one bond correlate with the C,H spin coupling constants.