1.
J Chem Phys
; 135(19): 194309, 2011 Nov 21.
Artigo
em Inglês
| MEDLINE
| ID: mdl-22112084
RESUMO
An analysis of the torsional spectrum of monodeuterated methanol CH(2)DOH is presented. Twenty nine torsional subbands have been assigned in the 20-800 cm(-1) region. The newly assigned subbands and those already available in the literature were analyzed with a theoretical approach accounting for internal rotation of an asymmetrical CH(2)D methyl group. Seventy six subband centers were reproduced with an rms value of 0.09 cm(-1). Spectroscopic parameters corresponding to the generalized inertia tensor and to the hindering potential were determined as well as rotation-torsion distortion constants.