Here we report measurements of the rotational spectra of normal and O-d indan-2-ol, obtained by free jet millimeter-wave absorption spectroscopy. Only lines of the most stable conformer, the one with the hydroxyl group in the axial position and with the hydroxyl hydrogen pointing towards the p system of the benzene 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.
The global conformational minimum of indan-2-ol / P.Ottaviani; B.Velino; W.Caminati. - In: JOURNAL OF MOLECULAR STRUCTURE. - ISSN 0022-2860. - STAMPA. - 795:(2006), pp. 194-197. [10.1016/j.molstruc.2006.02.024]
The global conformational minimum of indan-2-ol
OTTAVIANI, PAOLO;VELINO, BIAGIO;CAMINATI, WALTHER
2006
Abstract
Here we report measurements of the rotational spectra of normal and O-d indan-2-ol, obtained by free jet millimeter-wave absorption spectroscopy. Only lines of the most stable conformer, the one with the hydroxyl group in the axial position and with the hydroxyl hydrogen pointing towards the p system of the benzene 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.
