Conformational preferences of chiral molecules
Free jet rotational spectrum of 1-phenyl-1-propanol
- authored by
- Barbara M. Giuliano, Paolo Ottaviani, Laura B. Favero, Walther Caminati, Jens Uwe Grabow, Anna Giardini, Mauro Satta
- Abstract
The rotational spectra of normal and O-d species of the two most stable conformers of chiral 1-phenyl-1-propanol, obtained by free jet millimetre-wave absorption spectroscopy reveal that both conformers are stabilized by a O-H⋯π interaction, and have the Cα-Cβ-bond oriented nearly perpendicular to the plane of the benzene ring. The methyl group is trans with respect to the phenyl group for the most stable conformer (T), while it is gauche with respect to the phenyl group and entgegen with respect to the hydroxyl group for the second most stable conformer (GE). The energy difference (EGE - ET) was estimated to be 50(50) cm-1 from relative intensity measurements.
- Organisation(s)
-
Institute of Physical Chemistry and Electrochemistry
- External Organisation(s)
-
University of Bologna
National Research Council Italy (CNR)
Sapienza Università di Roma
- Type
- Article
- Journal
- Physical Chemistry Chemical Physics
- Volume
- 9
- Pages
- 4460-4464
- No. of pages
- 5
- ISSN
- 1463-9076
- Publication date
- 2007
- Publication status
- Published
- Peer reviewed
- Yes
- ASJC Scopus subject areas
- Physics and Astronomy(all), Physical and Theoretical Chemistry
- Electronic version(s)
-
https://doi.org/10.1039/b705114j (Access:
Unknown)
