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

Ulenikov, O.N.; Onopenko, G.A.; Tyabaeva, N.E.; Schroderus, J.; Аланко, С.

doi:10.1006/jmsp.1998.7729

Cited by 48 publications

(26 citation statements)

References 16 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The 17 Ground State parameters were held to values reported by Ulenikov et al [17]. Some 424 eective Hamiltonian parameters were xed throughout the analysis to the already-reported Triad and Nonad values [11] and [12].…”

Section: Positions and Energy Levelsmentioning

confidence: 99%

See 1 more Smart Citation

Preliminary analysis of CH3D from 3250 to 3700cm−1

Nikitin

Champion

Brown

2006

Journal of Molecular Spectroscopy

View full text Add to dashboard Cite

The infrared spectrum of CH3D from 3250 to 3700 cm =1 was studied for the rst time to assign transitions involving the ν2+ν3, ν2+ν5, ν2+ν6, ν3+2ν6 and 3ν6 vibrational states. Line positions and intensities were measured at 0.011 cm =1 resolution using Fourier transform spectra recorded at Kitt Peak with isotopically enriched samples.Some 2852 line positions (involving over 900 upper state levels) and 874 line intensities were reproduced with RMS values of 0.0009 cm =1 and 4.6%, respectively. The strongest bands were found to be ν2 + ν3 at 3499.7 cm =1 and ν2 + ν6 at 3342.5 cm =1 with integrated strengths, respectively, of 8.17 Ö 10 =20 and 2.44 Ö 10 =20 (cm =1 /molecule · cm =2 ) at 296 K (for 100% CH3D). The eective Hamiltonian was expressed in terms of irreducible tensor operators and adapted to symmetric top molecules. Its present conguration in the MIRS package permitted simultaneous consideration of the four lowest polyads of CH3D: the Ground State (G.S.), the Triad from 6.3 to 9.5 mm, the Nonad from 3.1 to 4.8 mm and now the Enneadecad (19 bands) from 2.2 to 3.1 mm. The CH3D line parameters for this interval were calculated to create a new database for the 3 mm region.

show abstract

Section: Positions and Energy Levelsmentioning

confidence: 99%

“…were kept xed at the values reported by Ulenikov et al [17]. The parameters from H T riad and H N onad involved in Triad, Nonad and Ennedecad eective Hamiltonians were kept xed at the values reported in [12].…”

Section: Introductionmentioning

confidence: 99%

Preliminary analysis of CH3D from 3250 to 3700cm−1

Nikitin

Champion

Brown

2006

Journal of Molecular Spectroscopy

View full text Add to dashboard Cite

show abstract

“…First, in all the abovementioned studies the model with degenerate a 1 /a 2 (K ϭ 3) states in the ground vibrational state was used. As our earlier analysis of the corresponding triad of CD 3 H (4,7) shows, the inclusion of these splittings in the ground state allows one to correctly explain numerous unusual peculiarities and splittings observed in the spectra. Also, one can expect that using the recent new information on the ground vibrational state of CH 3 D [Ref.…”

Section: Introductionmentioning

confidence: 80%

“…Also, one can expect that using the recent new information on the ground vibrational state of CH 3 D [Ref. (6)], a more precise and adequate theoretical description of the spectra can be obtained. The second reason for reanalysis is the considerable expansion of the J range in the present investigation.…”

Section: Introductionmentioning

confidence: 99%