A HIGH-RESOLUTION STUDY OF THE FOUR LOWEST FUNDAMENTAL BANDS AND ACCURATE DETERMINATION OF THE GROUND STATE CONSTANTS OF $H_{3}Si^{37}Cl$
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Date
1998
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Publisher
Ohio State University
Abstract
In order to determine the structure and force field of silyl chloride, the infrared spectra of several isotopomers were studied. After monoisotopic $D_{3}Si^{35}Cl$ (previous communication), we report here on the analysis of the monoisotopic $H_{3}Si^{37}Cl$ species. Here too, the two fundamental bands $\nu_{3} (543.968cm^{-1})$ and $\nu_{6} (663.736 cm^{-1})$ are linked by a Coriolis resonance but its effects are less important than for $D_{3}SiCl$ and especially than for the two nearly degenerate fundamental bands $\nu_{2} (947.982 cm^{-1})$ and $v_{5} (950.657 cm^{-1})$. The 'normal' ground state constants $B_{0}, D^{0}_{J}, D^{0}_{JK},H^{0}_{J},H^{0}_{JK}$, and $D^{0}_{KJ}$ were deduced from more than 6000 GSCD. As for the constants $A_{n}$ and $D^{0}_{K}$, they were obtained by the same method as for $D_{3}Si^{35}Cl$. Calibration errors were detected and corrected by checking the closed loop between $\nu_{6}, (2\nu_{6})^{0}$ and $(2\nu_{6})^{0} - \nu_{6}$. The values obtained are $A_{0} = 2.84564 cm^{-1}$ and $D^{0} = 2.54 \times 10^{-6} cm^{-1}$ (provisional values). Upper state energies were also determined for $\nu_{3},\nu_{6},\nu_{5},(2\nu_{6})^{\pm 2},(2\nu_{6})^{0},2\nu_{3}$, and $\nu_{3}+\nu_{6}$. Some interesting features of the hot bands $\nu_{3} + \nu_{6} - \nu_{3}$ and $\nu_{3} + \nu_{6} - \nu_{6}$ will also be reported.
Description
Author Institution: Laboratoire de Physique Mol\'{e}culaire et Applications, CNRS, B\^{a}t. 350; Anorganische Chemie, FB 9, Universit\""{a}t-Gesamthochschule