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Overtone spectrum and the Fermi resonance of the SiH chromophore in SiHCI3
Authors:YUN DING  SHENG-GUI HE  JING-JING ZHENG  SHUI-MING HU  XIANG-HUAI WANG  QING-SHI ZHU
Institution:Open Research Laboratory of Bond Selective Chemistry and the Institute for Advanced Studies, University of Science and Technology of China , Hefei, 230026, PR China
Abstract:The Fourier transform and Fourier transform intracavity laser absorption spectra of the gas phase SiHCl3 molecule were recorded from 1000 cm-1 up to 13 000 cm-1. The normal mode analysis is carried out to fit the observed band centres. The reduced Hamiltonian models in terms of normal and curvilinear internal coordinates are used to study the Fermi resonance between the SiH stretching and bending modes and analyse the observed band centres associated with the SiH chromophore. The resonance in the SiH chromophore is found not to be important due to the cancellation of the contributions from the kinetic and the potential coupling terms. Off-diagonal anharmonic constants between the SiH stretching and bending manifold and the molecular frame have been determined. The SiH chromophore vibrational intensities are also reported.
Keywords:
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