Vibrational spectra and force constants of symmetric tops

The infrared spectrum of H3SiI in the 800–1050 cm-1 region has been recorded with a resolution of 0·04 cm-1 and rotationally analysed. Features related to the Fermi resonance between v 5 and v 3 + v 6 and to the Coriolis x, y resonance between v 2 and v 5 have been explained, and a set of vibration-rotation parameters for the three bands has been determined by least-squares calculations, σ(J, K) = 9·4 × 10-3 cm-1. The Fermi resonance matrix element |W 356| is found to be 3·7859(7) cm-1 and the vibrational frequencies are v 2 0 = 904·551(1), v 5 0 = 941·0746(8) and (v 3 + v 6)0 = 953·688(3) cm-1. The anharmonicity constant, x 36 = -1·745(9) cm-1, has been determined. Comparison is made with …

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