Article ID Journal Published Year Pages File Type
1407621 Journal of Molecular Structure 2006 4 Pages PDF
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 π 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.
Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
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