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

Research paper by ON Ulenikov, GA Onopenko, NE Tyabaeva, H Bürger, W Jerzembeck

Indexed on: 30 Nov '99Published on: 30 Nov '99Published in: Journal of Molecular Spectroscopy


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., parameters of the H(2)Se and D(2)Se species were derived and successfully used for the construction of a synthetic spectrum for the nu(1) and nu(3) bands. As a result, lines of the recorded spectrum were assigned, and band centers, rotational, centrifugal distortion, and resonance interaction parameters for the (100) and (001) states of the species D(2)(M)Se, M = 76, 77, 78, 80, and 82, were determined. The obtained sets of parameters reproduce values of the vibration-rotation energies with a "mean" accuracy of 0.00007 cm(-1) for the D(2)(80)Se, and a slightly worse accuracy for other Se isotopic species. Copyright 1999 Academic Press.