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The Conformation of Odorants in Different States of Aggregation: A Joint Venture in Microwave Spectroscopy and X‐ray Diffraction
Author(s) -
Mouhib Halima,
Jelisavac Dragan,
Stahl Wolfgang,
Wang Ruimin,
Kalf Irmgard,
Englert Ulli
Publication year - 2011
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201000986
Subject(s) - diffraction , spectroscopy , chemistry , microwave , orthorhombic crystal system , x ray crystallography , rotational spectroscopy , crystallography , x ray , crystal structure , molecule , organic chemistry , physics , optics , quantum mechanics
More than just the first X‐ray structure: Microwave spectroscopy and theoretical calculations allow the authors to compare the structure of the volatile odorant allyl acetate (see picture) in the gas phase to its solid‐state structure, which is based on diffraction experiments on high‐quality binary crystals of cholic acid and the ester. An analogous comparison is successfully performed for isopropyl acetate.