Rovibrational spectroscopy of the ν 2 =1, ν 3 =1, and ν 2 = ν 3 =1 levels of CDF 3

The v6= 1 and v6= 2 vibrational states of DCF3

“…The present investigation moreover enlarges the sparse information on overtone and combination levels of the deuterated isotopologue of trifluoromethane since up to now only the combination band m 2 + m 3 of DCF 3 has been studied 0022-2852/$ -see front matter Ó 2008 Elsevier Inc. All rights reserved. doi:10.1016/j.jms.2008.04.011 with high resolution [10]. Also the fundamental levels of DCF 3 have been studied less thoroughly than those of HCF 3 .…”

“…Also the fundamental levels of DCF 3 have been studied less thoroughly than those of HCF 3 . So far only results for the fundamental bands m 6 [11], m 5 [12], m 2 and m 3 [10] of DCF 3 have been published. The situation is more complicated for the m 4 band, which is in Fermi resonance with the m 3 + m 6 combination band.…”

Rovibrational spectra of DCF3 in the 1000 cm−1 region: The ν5= 1 and ν6= 2 levels revisited

“…It was verified that this issue of reduction breakdown cannot be attributed to the neglected first-order Coriolis interaction between the v 5 = 1 level and v 2 = 1 fundamental levels. Testing of the inclusion of this interaction into the current analysis neither showed any influence on the anomalous values of centrifugal distortion constants observed in the v 2 = 1 level [5]. Therefore, its source should be rather sought for in its Coriolis interaction with the v 4 = 1 level which also exhibits a similar anomaly of centrifugal distortion constants [2].…”

“…The closest nondegenerate vibrational level v 2 = 1 (CF 3 symmetric stretching at 1111 cm À1 ) was tested as a potential perturber, after having been analyzed in Ref. [5], with no success. Introducing the Coriolis coupling, estimated from the molecular force field [6], neither explained the small value of the q 22 term in the v 5 = 1 level, nor the anomalous values of centrifugal distortion constants in the v 2 = 1 level [5].…”

“…[5], with no success. Introducing the Coriolis coupling, estimated from the molecular force field [6], neither explained the small value of the q 22 term in the v 5 = 1 level, nor the anomalous values of centrifugal distortion constants in the v 2 = 1 level [5]. This could not have been considered a final solution of the reduction breakdown problem because at that state of investigation the level closest to v 5 = 1, namely the v 6 = 2 level, was not analyzed yet.…”