GROUND-STATE ROTATIONAL ENERGIES OF ARSINE

Citation
G. Tarrago et al., GROUND-STATE ROTATIONAL ENERGIES OF ARSINE, Journal of molecular spectroscopy, 178(1), 1996, pp. 10-21
Citations number
17
Categorie Soggetti
Spectroscopy,"Physics, Atomic, Molecular & Chemical
ISSN journal
00222852
Volume
178
Issue
1
Year of publication
1996
Pages
10 - 21
Database
ISI
SICI code
0022-2852(1996)178:1<10:GREOA>2.0.ZU;2-V
Abstract
An analysis of the ground state of arsine is performed by using all th e line assignments coming from a recent investigation of the vibration al system 2 nu(2)/nu(2) + nu(4)/2 nu(4)/nu(1)/nu(3) at 1650-2350 cm(-1 ). A set of 6837 ground state combination differences is used, in comb ination with all FIR and radio-wave and microwave data (RMW) available in the literature, to refine the ground state parameters. The rotatio nal model takes into account all the nondiagonal contributions in [K\K +/- 3] and [K\K +/- 6], which are calculated via diagonalization, as well as the hyperfine interactions. The best estimates of the ground s tate parameters include 12 rotational and 4 quadrupole parameters. The overall rms deviation of the fit is 0.225 MHz for 7142 data fitted. T he deviations for IR, FIR, and RMW data separately, are 0.329 x 10(-3) cm(-1), 0.279 x 10(-3) cm(-1), and 0.149 MHz, compared to average exp erimental uncertainties estimated to 0.5 x 10(-3) cm(-1), 0.2 x 10(-3) cm(-1) and 0.211 MHz for the three kinds of data, respectively. The p arameters are compared to previous results and used for a prediction o f the ground state energies up to J = 20, including hyperfine structur e. A list including calculated line frequencies and intensities for al l the ground state rotational transitions obeying either Delta J = 1, Delta\K\ = 0, Delta F = 0, +/- 1, or Delta J = 0, Delta\K\ = 0, +/- 3, Delta F = 0, +/- 1, is also produced up to J = 20. (C) 1996 Academic Press, Inc.