Premium
Conformation of ethane‐1,2‐diol from analysis of its NMR spectrum obtained using gradient‐enhanced inverse detection
Author(s) -
Salman S. R.,
Farrant R. D.,
Sanderson P. N.,
Lindon J. C.
Publication year - 1993
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.1260310612
Subject(s) - chemistry , diol , inverse , nuclear magnetic resonance spectroscopy , spectrum (functional analysis) , computational chemistry , analytical chemistry (journal) , nuclear magnetic resonance , stereochemistry , organic chemistry , geometry , physics , mathematics , quantum mechanics
Abstract The 1 H NMR spectrum of [ 13 C]ethane‐1,2‐diol was measured at natural abundance using the 1 H 13 C inverse‐detected HMQC method with magnetic field gradients. A limited solvent and temperature dependence study was undertaken and the vicinal 1 H 1 H coupling constants were related to those in model compounds. It is shown that the trans rotamer is significantly populated, in contradiction to some recent theoretical and experimental studies.