Infrared and millimeter-wave studies of 13CH3Cl in the ground, 31, and 61 states

✍ Scribed by M. Litz; H. Bürger; L. Féjard; F.L. Constantin; L. Margulès; J. Demaison

• Publisher: Elsevier Science
• Year: 2003
• Tongue: English
• Weight: 224 KB
• Volume: 219
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1016/s0022-2852(03)00025-0

✦ Synopsis

The monoisotopic methyl chloride species 13 CH 3 35 Cl and 13 CH 3 37 Cl were synthesized and investigated by high-resolution (ca. 2:5 Â 10 À3 cm À1 ) infrared (J max ¼ 63) and millimeter-wave spectroscopy (J max ¼ 50). Ground state parameters up to sextic centrifugal distortion constants have been determined by merging ground state combination differences with pure rotational data. The axial rotational constant A 0 was determined from allowed and perturbation-allowed infrared transitions observed in the m 2 and m 5 bands around a local crossing. Parameters of the excited states 3 1 and 6 1 were determined by jointly fitting infrared ðr Fit ca. 5 Â 10 À5 cm À1 ) and rotational data (r Fit ca. 55 kHz) using both an isolated band model and a model taking into account x; y-Coriolis resonance, with an interaction constant adopted from the harmonic force field. The 6 1 level is affected by (2, 2) and ð2; À4Þ l-type resonance responsible for A 1 A 2 splittings of the kl ¼ þ1 and kl ¼ À2 sublevels, respectively. The splitting of the P ðPQRÞ 3 lines was resolved for J P 45.