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Conformational Landscapes and Free‐Jet Rotational Spectrum of Indan‐1‐ol
Author(s) -
Velino Biagio,
Ottaviani Paolo,
Caminati Walther,
Giardini Anna,
Paladini Alessandra
Publication year - 2006
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.200500385
Subject(s) - chemistry , jet (fluid) , rotational spectrum , rotational dynamics , computational chemistry , chemical physics , nanotechnology , materials science , rotational spectroscopy , physics , organic chemistry , molecule , thermodynamics
Nonbonding interactions : The most stable configuration of indanole as determined by rotational spectroscopy in supersonic expansions results in the hydroxyl group in the equatorial position, with the hydroxyl hydrogen pointing towards the cyclopentenyl ring (see figure). Five other rotamers, generated by the hydroxyl group rotation and by the five‐membered ring puckering, relax to this one upon supersonic expansion.