HYDROGEN BONDING IN CHIRAL MOLECULAR COMPLEX: DIRECT DETECTION OF PROPYLENE OXIDE-WATER ADDUCT IN GAS PHASE

Loading...
Thumbnail Image

Date

2006

Journal Title

Journal ISSN

Volume Title

Publisher

Ohio State University

Research Projects

Organizational Units

Journal Issue

Abstract

High resolution spectroscopy and $ab$ $initio$ calculations of chiral molecules and their molecular complexes promise to provide rich structural and dynamical information about this class of molecular systems. In this talk, we will report the detailed rotational spectroscopic and high level $ab$ $initio$ studies of the hydrogen bonded propylene oxide-water (C$_{3}$H$_{6}$O-H$_{2}$O) complex. Two distinct structural conformers of the 1:1 molecular adduct were detected experimentally. Rotational spectra of the four isotopomeric species, namely C$_{3}$H$_{6}$O-H$_{2}$O, C$_{3}$H$_{6}$O-DOH, C$_{3}$H$_{6}$O-HOD and C$_{3}$H$_{6}$O-D$_{2}$O were recorded for the two conformers. The effect of the methyl group on the stability of the O$_{epoxy}$$^{...}$H-O type hydrogen bond will be examined by comparing with the closely related ethylene-water adduct.}, $120$, 11144-11148.}

Description

Author Institution: Department of Chemistry, University of Alberta, Edmonton, AB, T6G; 2G2, Canada

Keywords

Citation