RECENT RESULTS IN THE ANALYSIS OF FUNDAMENTAL, HARMONIC AND COMBINATION BANDS OF SOME $XY_{4}$ MOLECULES.

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1979

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Ohio State University

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Recent results have been obtained in the analysis of vibration-rotation spectra of light XY4 molecules, using a new tetrahedral formalism developed in the DIJON Laboratory1. Two main results are reported: -(i) Treatment of interacting fundamentals (ν4 and ν4 of CH4 and SiH4; ν1 and ν3 of SiH4) with an untransformed third-order Hamiltonian. A reduced set of parameters given better results than previous fourth order theories. -(ii) Analysis of harmonic and combination bands by a systematic extrapolation from the corresponding fundamental: 2ν2,2ν4,ν2,+ν4 and ν2+ν3 of methane. As a consequence, a first set of anharmonic constants have been obtained. Several works in progress are briefly discussed: -(i) Treatment of interacting vibrational clusters. (The pentade ν1ν3−2ν2−2ν4ν2+ν4 of CH4). -(ii) Computation of hot bands. -(iii) Analysis of levels involving more than two vibrational quanta.

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1J.P. CHAMPION, J. Can. Phys., 55, 1802-1828 (1977)


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