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Barriers to internal rotation in 1,3,5‐trineopentylbenzenes: V—conformational studies by carbon‐13 magnetic resonance
Author(s) -
Nilsson Bertil,
Drakenberg Torbjörn
Publication year - 1974
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270060306
Subject(s) - conformational isomerism , spectral line , rotation (mathematics) , fourier transform , chemistry , carbon fibers , resonance (particle physics) , internal rotation , nuclear magnetic resonance , analytical chemistry (journal) , crystallography , materials science , molecule , physics , atomic physics , mathematics , organic chemistry , mathematical analysis , geometry , mechanical engineering , astronomy , composite number , engineering , composite material
The temperature dependence of the carbon‐13 NMR signals in three completely substituted 1,3,5‐trineopentylbenzenes has been studied by the Fourier transform technique. The assignment of all peaks was based on studies of 1,3,5‐trineopentylbenzene and some of its mono‐ and disubstituted derivatives. Nearly all carbon signals showed a splitting into several peaks at low temperature, which gave information about the existing rotamers in the completely substituted compounds. Spectra for one compound were studied in a narrow temperature interval in order to test the reliability of rate constants obtained from 13 C FT spectra. Good agreement was found between previously reported values obtained from 1 H NMR and those obtained in this investigation.