Ground State Rotational Energies of Arsine

✍ Scribed by G. Tarrago; V. Dana; J.-Y. Mandin; S. Klee; B.P. Winnewisser

• Publisher: Elsevier Science
• Year: 1996
• Tongue: English
• Weight: 687 KB
• Volume: 178
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1996.0151

✦ Synopsis

An analysis of the ground state of arsine is performed by using all the line assignments coming from a recent investigation of the vibrational system 2n 2 /n 2 / n 4 /2n 4 /n 1 /n 3 at 1650-2350 cm 01 . A set of 6837 ground state combination differences is used, in combination with all FIR and radio-wave and microwave data (RMW) available in the literature, to refine the ground state parameters. The rotational model takes into account all the nondiagonal contributions in »KÉK { 3… and »KÉK { 6…, which are calculated via diagonalization, as well as the hyperfine interactions. The best estimates of the ground state parameters include 12 rotational and 4 quadrupole parameters. The overall rms deviation of the fit is 0.225 MHz for 7142 data fitted. The deviations for IR, FIR, and RMW data separately, are 0.329 1 10 03 cm 01 , 0.279 1 10 03 cm 01 , and 0.149 MHz, compared to average experimental uncertainties estimated to 0.5 1 10 03 cm 01 , 0.2 1 10 03 cm 01 , and 0.211 MHz for the three kinds of data, respectively. The parameters are compared to previous results and used for a prediction of the ground state energies up to J Å 20, including hyperfine structure. A list including calculated line frequencies and intensities for all the ground state rotational transitions obeying either DJ Å 1, DÉKÉ Å 0, DF Å 0, { 1, or DJ Å 0, DÉKÉ Å 0, {3, DF Å 0, {1, is also produced up to J Å 20.