Isotope Substitution in Near Local-Mode H2X Molecules: Stretching Fundamental Bands of HDSe

Analysis of the (0 0 v3), v3 = 1, 2, 3 Vibrotational States of HDSe

“…In accordance with general principles of vibration-rotation spectroscopy, the 3 band is considerably stronger than the 2 3 band, and, in turn, 2 3 is considerably stronger than the 3 3 band. Since the HDSe is an asymmetric-top molecule with C i symmetry, the selection rules for all rotational-vibrational bands are ⌬J ϭ 0, Ϯ1; ⌬K a ϭ 0, Ϯ1; ⌬K c ϭ Ϯ1.…”

“…(3,4)) and D 2 Se (Ref. (5)), and for different isotopic species, D 2 M Se, HD M Se, with M ϭ 76, 77, 78, 80, and 82.…”

“…After preceding work on the ground state (6), on 2 (7), 1 and 3 (3), and the polyads 1 /2 2 , 1 ϩ 2 /3 2 , 2 1 / 1 ϩ 2 2 / 2 ϩ 3 (4), we will apply the "predictive" procedure and Global Fit concept to the (v 1 v 2 v 3 ) ϭ (001), (002), and (003) levels with vibrational energies ( 80 Se) of 2351.2, 4617.9, and 6799.9 cm Ϫ1 , respectively. We will use for this purpose highresolution Fourier transform spectra obtained on samples with different H 2 Se:HDSe:D 2 Se ratios.…”

Isotopic Effects in XH3 (C3v) Molecules: The Lowest Vibrational Bands of PH2D Reinvestigated

“…The fit of the obtained upper state energies in the framework of Watson's A-reduced Hamiltonian in III l representation leads to a physically meaningful set of 71 spectroscopic parameters which reproduce the 881 observed "experimental" energies with accuracies close to the experimental precision. It is to be expected that our approach to predicting parameters of isotopically substituted "daughter" species from those of the "mother" molecule will likewise be successful for other vibrations of PH 2 D. Supposedly this method will be even more powerful if the target molecules fulfill local mode conditions better than PH 3 and PH 2 D, as is the case for H 2 Se and HDSe, which were studied earlier (1,2).…”

“…1). In this case, making use of the conditions (a)-(c) as defined above in the general formulae [2]- [7] yields the following simple nonzero values of the K coefficients:…”