Journal of Chemical Physics, Vol.107, No.7, 2175-2179, 1997
Circular-Dichroism at Microwave-Frequencies - Calculated Rotational Strengths of Selected Transitions for Some Oxirane Derivatives
A summary and selected results are presented for calculations of the rotational strengths of circular dichroism transitions in the microwave for the three chiral deuterated oxiranes, methyl- and trans-dimethyloxirane, and methylthiirane. The calculations, up to J= 10, were carried out using a modified version of the spectral cataloging programs of Pickett. A selection of transitions, with rotational strengths between 10(-44) and 100x10(-44) esu(2) cm(2), which are considered to be the most likely candidates for observation of rotational circular dichroism, is given.
Keywords:CHIRAL DEUTERATED OXIRANES;OPTICAL-ACTIVITY;SEMICLASSICAL THEORY;DISSYMMETRY FACTORS;MOLECULAR ROTATION;ASYMMETRIC ROTORS;RESONANCE;MOMENTS;NHDT;PHDT