Rotational Analysis of the Ground State and the Lowest Fundamentals nu(3), nu(5), and nu(6) of (13)CH(3)D.

The nu(3), nu(5), and nu(6) fundamental bands of the (13)CH(3)D molecule have been studied with Fourier transform infrared spectroscopy. The spectra and results for the parent species (12)CH(3)D (O. N.

Study on the Rovibrational Interactions and a(1)/a(2) Splittings in the nu(3)/nu(5)/nu(6) Triad of CH(3)D.

High-resolution Fourier transform infrared spectrum of CH(3)D has been recorded in the region of the fundamental bands nu(3), nu(5), and nu(6) between 900 and 1700 cm(-1). High sensitivity of the equipment used as well as high accuracy of the recorded line positions gave the possibility of assigning the first-time transitions with the upper state J quantum number up to 23. In the analysis the new ground vibrational state information [O.

Isotope Substitution in Near Local-Mode H(2)X Molecules: Stretching Fundamental Bands of HDSe.

The high-resolution FTIR spectrum of the HDSe molecule in the presence of H(2)Se and D(2)Se was recorded on (80)Se monoisotopic and natural samples in the 1500-2900 cm(-1) region and theoretically analyzed in the regions of the stretching fundamental bands nu(1) and nu(3) near 1692 and 2351 cm(-1), respectively. The analysis was performed starting from derived isotopic relations between vibration-rotation, anharmonic, centrifugal distortion, and other parameters which reveal high predictive power. Strong resonance interactions between the states (100) and (020) are taken into account, and sets of parameters which reproduce the experimental rotation-vibration energies of the (100) and (001) states with a mean accuracy of 0.

The Ground State of D(2)Se and HDSe.

Ground state rotational constants of D(M)(2)Se and HD(M)Se, M = 76, 77, 78, 80, and 82, have been determined up to octic centrifugal distortion terms from ground state combination differences. These were obtained from rotational analyses of the nu(2), nu(1), and nu(3) bands both of natural and (80)Se monoisotopic material recorded with a resolution of ca. 3 x 10(-3) cm(-1).

Isotope Substitution in Near Local Mode H(2)X Molecules: The nu(1) and nu(3) Bands of D(2)Se.

The high-resolution (0.0027 cm(-1)) Fourier transform spectra of the D(2)Se molecule as (80)Se monoisotopic and natural material were recorded for the first time in the 1500-1900 cm(-1) region where the nu(1) and nu(3) vibration-rotation bands are located. Because accurate information about the rotational structures of different vibrational states was still lacking, the isotopic relations between rotational, centrifugal distortion, resonance interaction, etc.

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

The rotational analysis in the ground vibrational state has been carried out for CH3D by using the ground state combination differences. More than 1500 allowed and 2500 forbidden transitions from the fundamental bands nu3, nu5, and nu6 were used to determine 12 rotational parameters, which reproduce the observed combination differences within an accuracy of 1.0 x 10(-4) cm-1.

Precise Study of the Lowest Vibration-Rotational Bands nu5 and nu3/nu6 of the CHD3 Molecule.

The high-resolution absorption spectrum of the CHD3 molecule has been measured on a Fourier transform spectrometer in the region of the nu5 and nu3/nu6 bands and analyzed for the first time by taking into account a1 - a2 (K = 3) splittings of the ground vibrational state. The problem of ambiguity in determining the corresponding epsilon; parameter of the ground vibrational state was solved on the basis of the analysis of the rotational structure of the nu5 band. Numerous a1-a2 splittings for the states with Kupper = 1, 2, 4, 5, 7 in the nu5 and nu6 bands are described.

A New Rotational Study of the Ground Vibrational State of CHD3.

A careful rotational analysis of the ground vibrational state of the CHD3 molecule is made on the basis of the ground state combination differences method using, as the initial information, transitions from 12 infrared absorption bands: nu3(A1), nu6(E), nu5(E), 2nu3(A1), 2nu6(A1), 2nu6(E), nu3 + nu6(E), 2nu5(A1), 2nu5(E), nu3 + nu5(E), nu5 + nu6(A1 + A2), and nu5 + nu6(E). More than 2500 "forbidden" transitions were used to determine the parameters C, DK, and HK. a1 - a2 (K = 3) splittings in the ground vibrational state were found and analyzed.