Improved measurements and analysis of the far-infrared spectrum of methanol-D1 (CH2DOH) arising from trans- (e0) to gauche- (e1 & o1) states

Abstract

In this work the millimeter-wave (MMW) and far infrared (FIR) absorption spectrum for the asymmetrically deuterated Methanol (CH2DOH) species measured recently at a temperature of −60°C with better accuracy and signal/noise (S/N) ratio than known before has been assigned for transitions originating at the lowest lying trans- to gauche-states. The entire spectrum for 50–1200cm−1 has been re-recorded recently using the Synchrotron Radiation Source coupled with the Bruker Fourier Transform Infrared (FTIR) spectrometer with a resolution of about 0.001cm−1 or better. Complete spectrum has not been exploited a great deal but it helped to entangle overlapping lines in the present work. This also fills the gap remaining in the usual FTIR in the range 400–500cm−1. Hence it is expected to help the interacting partner for the Coriolis interaction encountered earlier. The assigned transitions mostly for the axial rotational angular momentum quantum number K+1←K, both for R- and Q-sub bands for wide range of rotational angular momentum quantum number. The MMW spectrum has been recalibrated and assigned for a number of Q-branches. The assignments are confirmed rigorously using closed loop residual technique. The assigned rR and rQ lines have been analyzed in terms of polynomial expansion parameters. The new assignments are presented for about 750 transitions and a grand atlas of more than 1000 lines has been prepared which will be made available through the open source server at “research gate”. The present work should be useful in the area of astrophysical detection and further understanding of the energy relaxation pathways in the molecule.