A New Rotational Study of the Ground Vibrational State of CHD3

On the Rotational Analysis of the Ground Vibrational State of CH3D Molecule

“…The information on the ground vibrational state was obtained from the fundamental bands 3 (1306 cm Ϫ1 ), 5 (1472 cm Ϫ1 ), and 6 (1161 cm…”

“…The problems associated with the simultaneous determination of h 3 and ⑀ for the CD 3 H molecule were recently discussed in our paper (5). In that case, parameter ⑀ was independently determined from a resonance interaction between the…”

“…However, the axial rotational parameters A 0 , D 0 K , and H 0 K were not determined. Tarrago et al (3) recorded 3 , 5 , and 6 bands at 0.0054 cm Ϫ1 resolution and carried out a global frequency and intensity analysis of the 3 / 5 / 6 triad. The data obtained were also used to calculate 2641 GSCDs for (K Յ J Յ 19, 0 Յ K Յ 6), and all the rotational parameters up to sixth order were determined.…”

“…[5], d 3a 1 ( Jϩ1)ϪJ and d 3a 2 ( Jϩ1)ϪJ are the energy differences between the rotational states with successive ( J, K ϭ 3) values for a 1 and a 2 components, respectively. Once the values for d 3a 1 ( Jϩ1)ϪJ and d 3a 2 ( Jϩ1)ϪJ have been determined from the experimental data, the relations [3][4][5] can be used to calculate the splitting constant h 3 .…”

“…state by using the ground state combination differences obtained from 3 , 5 , and 6 bands. Contrary to earlier studies (2,3), the axial rotational parameters ( A 0 , D 0 K , H 0 K ) and a 1 -a 2 (K ϭ 3) splitting constants (⑀ , h 3 ) were determined simultaneously.…”