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182 0 _ab
200 1 _aHigh resolution infrared spectroscopy and global vibrational analysis for the CH3D and CHD3 isotopomers of methane
_fO. N. Ulenikov [et al.]
203 _aText
_celectronic
300 _aTitle screen
320 _a[References: p. 1238-1240 (83 tit.)]
330 _aWe report infrared spectra of CH3D and CHD3 in the range 2900 to 9000 cm−1 measured with the Zürich high resolution Fourier transform infrared (FTIR) interferometer Bruker IFS 125 prototype (ZP 2001) at 80 K in a collisional-cooling cell with optical paths ranging from 5 to 10 m. In all, 57 new ro-vibrational bands of CH3D and 40 for CHD3 were assigned and analysed. Using a strategy of the direct assignment of the J = 0 states of excited vibrational levels, precise experimental values of the band centres with uncertainties in the range of about 0.0001 to 0.0003 cm−1 were obtained. Including 15 previously known band centres of CH3D and 12 previously known band centres of CHD3, these data were used as the initial information for the determination of the harmonic frequencies, anharmonic coefficients, and vibrational resonance interaction parameters in an effective hamiltonian. A joint set of 64 parameters reproduces the 124 experimental vibrational energies of both molecules up to 6500 cm−1 with a root mean deviation of d rms= 0.73 cm−1. The results are discussed in relation to intramolecular dynamics on a global potential hypersurface of methane, intramolecular vibrational redistribution, and the spectroscopy of the atmospheres of the earth and planetary systems.
333 _aРежим доступа: по договору с организацией-держателем ресурса
461 _tMolecular Physics
_oAn International Journal at the Interface Between Chemistry and Physics
463 _tVol. 108, iss. 7-9
_v[P. 1209-1240]
_d2010
610 1 _aэлектронный ресурс
610 1 _aтруды учёных ТПУ
701 1 _aUlenekov (Ulenikov)
_bO. N.
_cphysicist
_cProfessor of Tomsk Polytechnic University, Doctor of physical and mathematical sciences
_f1949-
_gOleg Nikolaevich
_2stltpush
_3(RuTPU)RU\TPU\pers\34331
701 1 _aBekhtereva
_bE. S.
_cphysicist
_cProfessor of Tomsk Polytechnic University, Doctor of physical and mathematical sciences
_f1974-
_gElena Sergeevna
_2stltpush
_3(RuTPU)RU\TPU\pers\34450
701 1 _aAlbert
_bS.
701 1 _aBauerecker
_bZ. (S.) H.
_cphysicist
_cJunior researcher at Tomsk Polytechnic University
_f1960-
_gZigurd (Sigurd) Hermann
_2stltpush
_3(RuTPU)RU\TPU\pers\37573
701 1 _aHollenstein
_bH.
701 1 _aQuack
_bM.
801 2 _aRU
_b63413507
_c20171003
_gRCR
856 4 _uhttp://dx.doi.org/10.1080/00268976.2010.483131
942 _cCF