Analysis of the microwave, terahertz, and far infrared spectra of monodeuterated methanol CH2DOH up to J=26, K=11, and o(1)

作者：Coudert L H^*; Zemouli M; Motiyenko R A; Margules L; Klee S

来源：Journal of Chemical Physics, 2014, 140(6): 064307.

DOI：10.1063/1.4864203

The first theoretical approach aimed at accounting for the energy levels of a non-rigid molecule displaying asymmetric-top asymmetric-frame internal rotation is developed. It is applied to a line position analysis of the high-resolution spectrum of the non-rigid CH2DOH molecule and allows us to carry out a global analysis of a data set consisting of already available data and of microwave and far infrared transitions measured in this work. The analysis is restricted to the three lowest lying torsional levels (e(0), e(1), and o(1)), to K %26lt;= 11, and to J %26lt;= 26. For the 8211 fitted lines, the unitless standard deviation is 2.4 and 103 parameters are determined including kinetic energy, hindering potential, and distortion effects parameters.

• 出版日期2014-2-14