PRECISE STUDY OF $CHD_{3}$ SPECTRUM IN THE REGION OF $1900-2800 CM^{-1}$

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1996

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Ohio State University

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High resolution spectrum of CHD3 (instrumental resolution 0.0035cm−1) was recorded on the Bruker IFS 120HR Fourier transform spectrometer (Oulu) and analyzed in the region of 1900−2800cm−1. Spectrum in this region contains two strong fundamental bands ν2(A1) and ν4(E)1 and some weak combination and overtone bands 2ν3(A1),ν3+ν6(E),2ν6(A1),2ν6(E),ν3+ν5(E),ν5+ν6(A1),ν5+ν6(E),2ν3(A1), and 2ν5(E). There are only few detailed studies of spectrum in this region ad. However, even at the recent paper (d) parameters were not determined which would reproduce initital experimental data with satisfactory accuracies. We used for analisys specially derived model of Hamiltonian which based on the irreducible tensorial sets theory. Taking into account a).higher-order resonance interactions between above mentioned vibration-rotation bands and b).higher-order splitting parameters we obtained set of spectroscopic constants which reproduce initial experimental data with the accuracies near to experimental uncertainties. Anomalous behaviour of A1A2 splittings in E-type vibrational states and anomalous shifts of energy levels in A1-type vibrational states are discussed. Part of this work was supported by Russian Foundation on Fundamental Researches (Pr.N95-03-08081a).

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D.E.Jennings and W.E.Blass,J.Mol.Spectrosc.,55, 445 (1975). H.C.Allen and E.K.Plyler, J.Res.Natl.Bur.Stand.,A63, 145 (1959). H.W.Kattenberg and S.Brodersen,J.Mol.Spectrosc.,59, 126 (1976). Ch.Roche, J.-P.Champion, S.L.Coy, J.J.Klaassen, J.L.Steinfeld, A.Valentin, Y.Mizugai, and J.W.C.Johns, J.Chem.Phys.,100, 5508 (1994).


Author Institution: Physics Department, Tomsk State University; Department of Physics, University of Oulu

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