Reported here are measurements of the rotational spectra of normal and O-d indan-1-ol, obtained by free jet millimeter-wave absorption spectroscopy. Only lines of the most stable conformer, the one with the hydroxyl group in the equatorial position and with the hydroxyl hydrogen pointing towards the cyclopentene ring, have been observed. This experimental evidence is in agreement with the results of density functional (B3LYP/6-311++G**) calculations. A partial r0 structure has been obtained.
B.Velino, P.Ottaviani, W.Caminati, A.Giardini and A.Paladini (2006). Conformational Landscapes and Free-Jet Rotational Spectrum of Indan-1-ol. CHEMPHYSCHEM, 7, 565-568 [10.1002/cphc.200500385].
Conformational Landscapes and Free-Jet Rotational Spectrum of Indan-1-ol
VELINO, BIAGIO;OTTAVIANI, PAOLO;CAMINATI, WALTHER;
2006
Abstract
Reported here are measurements of the rotational spectra of normal and O-d indan-1-ol, obtained by free jet millimeter-wave absorption spectroscopy. Only lines of the most stable conformer, the one with the hydroxyl group in the equatorial position and with the hydroxyl hydrogen pointing towards the cyclopentene ring, have been observed. This experimental evidence is in agreement with the results of density functional (B3LYP/6-311++G**) calculations. A partial r0 structure has been obtained.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
