The microwave spectrum of the sugar alcohol 1,2-propanediol (CH3CHOHCH2OH) has been measured over the frequency range 6.5 GHz to 25.0 GHz with several pulsed-beam Fourier-transform microwave spectrometers. Seven conformers of 1,2-propanediol have been assigned and ab initio electronic structure calculations of the ten lowest energy forms have been calculated. Stark effect measurements were carried out on several of the lowest energy conformers to provide accurate determinations of the dipole moment components and assist in conformer assignment.
Citation: Journal of Molecular Spectroscopy
Pub Type: Journals
Ab Initio Calculation, Dipole Moment, Microwave Spectrum, Propanediol, Rotational Spectrum, Structure