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High-Resolution Study of the First Stretching Overtones of H3Si79Br

✍ Scribed by A. Ceausu; G. Graner; H. Bürger; E.B. Mkadmi; P. Pracna; W.J. Lafferty

Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
321 KB
Volume
192
Category
Article
ISSN
0022-2852

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✦ Synopsis

The Fourier transform infrared spectrum of monoisotopic H3Si79Br (resolution 7.7 x 10(-3) cm-1) was studied from 4200 to 4520 cm-1, in the region of the first overtones of the Si-H stretching vibration. The investigation of the spectrum revealed the presence of two band systems, the first consisting of one parallel (nu0 = 4340.2002 cm-1) and one perpendicular (nu0 = 4342.1432 cm-1) strong component, and the second of one parallel (nu0 = 4405.789 cm-1) and one perpendicular (nu0 = 4416.233 cm-1) weak component. The rovibrational analysis shows strong local perturbations for both strong and weak systems. Seven hundred eighty-one nonzero-weighted transitions belonging to the strong system [the (200) manifold in the local mode picture] were fitted to a simple model involving a perpendicular component interacting by a weak Coriolis resonance with a parallel component. The most severely perturbed transitions (whose ||obs-calc || values exceeded 3 x 10(-3) cm-1) were given zero weights. The standard deviations of the fit were 1.0 x 10(-3) and 0.69 x 10(-3) cm-1 for the parallel and the perpendicular components, respectively. The weak band system, severely perturbed by many "dark" perturbers, was fitted to a model involving one parallel and one perpendicular band, connected by a Coriolis-type resonance. The K" . DeltaK = +10 to +18 subbands of the perpendicular component, which showed very high observed - calculated values ( approximately 0.5 cm-1), were excluded from this calculation. The standard deviations of the fit were 11 x 10(-3) and 13 x 10(-3) cm-1 for the parallel and the perpendicular components, respectively. Copyright 1998 Academic Press.

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