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Carbon‐13 NMR. The analysis of the relaxation times T 1 of benzofuran and of a series of its methyl derivatives. Correlations between molecular motions and structural properties
Author(s) -
Platzer Nicole
Publication year - 1978
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.1270110707
Subject(s) - benzofuran , chemistry , molecule , methyl group , anisotropy , dipole , relaxation (psychology) , internal rotation , nuclear magnetic resonance , crystallography , stereochemistry , computational chemistry , group (periodic table) , physics , organic chemistry , mechanical engineering , psychology , social psychology , quantum mechanics , engineering
Carbon‐13 relaxation times ( T 1 ) and nuclear Overhauser enhancements (η) have been measured for benzofuran and a series of its methyl derivatives. The contributions of dipolar ( T 1 DD ) and spin rotation ( T 1 SR ) mechanisms have both been determined. The temperature dependence of T 1 has been studied. The relationships between molecular motions and structural properties have been emphasized. The overall motional anisotropy of the benzofuran molecule is increased by substitution in positions 2 and 5. The internal rotation of a methyl group may change depending on its position in the molecule and on the influence of other methyl groups in its close neighbourhood.