The highresolution spectrum of the ν_{1} ( A_{1}) band of ^{12}CD _{3}F
Abstract
The spectrum of the ν_{1} ( A_{1}) band of ^{12}CD _{3}F has been recorded with a resolution of 0.010 cm ^{1} and deconvolved to 0.005 cm ^{1}. Over 1050 transitions have been assigned with K ≤ 16 and J ≤ 42. The spectrum is highly perturbed, exhibiting avoided crossings in most of the observed subbands. The origin of most of the local and global resonances has been determined and the coupling constants estimated. Due to the complexity of the spectrum resulting from the 24 potential interacting states in the region, the assigned frequencies were fitted in a restricted manner ( K ≤ 3, J ≤ 15), to obtain the following effective constants for the band: ν_{0} = 2090.8118(20) cm ^{1}, α^{A} = 1.19743 × 10 ^{2} cm ^{1}, and α^{B} = 1.8489 × 10 ^{3} cm ^{1}. From an unrestricted leastsquares analysis, fixing the above parameters the β's ( D_{v}^{x} = D_{0}^{x}  β_{v}^{x}) were calculated to be β^{J} = 1.7776 × 10 ^{7} cm ^{1}, β^{JK} = 8.3406 × 10 ^{7} cm ^{1}, and β^{K} = 6.3829 × 10 ^{7} cm ^{1}. These constants serve as good starting parameters for the global analysis necessary to fully analyze the 5μm region of the ^{12}CD _{3}F spectrum.
 Publication:

Journal of Molecular Spectroscopy
 Pub Date:
 October 1987
 DOI:
 10.1016/00222852(87)901020
 Bibcode:
 1987JMoSp.125..332D