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Conformational analysis of biphenyls using 13 C NMR spectroscopy
Author(s) -
Roberts R. M. G.
Publication year - 1985
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.1260230114
Subject(s) - chemistry , biphenyl , spectroscopy , nuclear magnetic resonance spectroscopy , adsorption , analytical chemistry (journal) , computational chemistry , stereochemistry , organic chemistry , physics , quantum mechanics
13 C chemical shifts of biphenyl and fluorenyl derivatives have been used to estimate interplanar angles (0) for biphenyls in solution. Values of 0 for biphenyls with no ortho substituents lie in the range 26 +plusmn; 5°, which agree well with estimates using other techniques. The method also gave excellent agreement for ortho ‐substituted derivatives. The value of 0 for 2,2′‐dimethylbiphenyl was calculated at 73°, close to values obtained from UV spectroscopy and adsorption studies.