0000000000183516
AUTHOR
M. Bétrencourt
Ab Initio Calculations and High-Resolution Spectroscopy of the Bending Pentad of SiH2D2 in the 10–16 um Region
International audience; The SiH2D2 asymmetric top has nine vibrational modes, five of them forming a pentad strongly perturbed by Coriolis interactions. High-level ab initio calculations of SiH2D2 have been performed which yield numerous spectroscopic parameters related to the harmonic and anharmonic force fields. The bending pentad comprising v4(A1), v7(B1), v5(A2), v9(B2), and v3(A1) has been studied by high-resolution Fourier transform spectroscopy; the region 600 –1050 cm-1 has been investigated with a resolution of ca. 4 x 10-3 cm-1. Raman BOXCARS spectroscopy has been used for the infrared inactive v5 band. The Raman apparatus function was 0.0054 cm-1. Assignments of about 4000 transi…
Ab InitioCalculations and High-Resolution Spectroscopy of the Bending Pentad of SiH2D2in the 10–16 μm Region
Abstract The SiH 2 D 2 asymmetric top has nine vibrational modes, five of them forming a pentad strongly perturbed by Coriolis interactions. High-level ab initio calculations of SiH 2 D 2 have been performed which yield numerous spectroscopic parameters related to the harmonic and anharmonic force fields. The bending pentad comprising ν 4 (A 1 ), ν 7 (B 1 ), ν 5 (A 2 ), ν 9 (B 2 ), and ν 3 (A 1 ) has been studied by high-resolution Fourier transform spectroscopy; the region 600–1050 cm −1 has been investigated with a resolution of ca. 4 × 10 −3 cm −1 . Raman BOXCARS spectroscopy has been used for the infrared inactive ν 5 band. The Raman apparatus function was 0.0054 cm −1 . Assignments of …