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200	1		_aHigh resolution spectroscopy of asymmetric top molecules in nonsinglet electronic states: the ν3 fundamental of chlorine dioxide (16O35Cl16O) free radical in the X2B1 electronic ground state _fO. N. Ulenekov (Ulenikov), E. S. Bekhtereva, O. V. Gromova [et al.]
203			_aText _celectronic
300			_aTitle screen
330			_aHighly resolved spectra of the 16O35Cl16O isotopologue of chlorine dioxide were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer in the region of the ν3 band. The analysis was made in the frame of the spin-rotational effective Hamiltonian (in A-reduction and Ir-representation) taking into account spin-rotational coupling operators up to the sixth order and the corresponding reduction of the Hamiltonian. The mathematical description of the ro-vibrational spectra was implemented to the specially created computer program ROVDES. Under the present experimental conditions, we were able to assign more than 5200 spin-rotational transitions to the ν3 band. This number is 2.4 times higher compared to the previous studies available from the literature. The vibrational ground state parameters were improved, and the 2220 upper spin-rotation-vibration energy levels were determined and used as initial data in the inverse spectroscopic problem with the derived effective spin-rotational Hamiltonian. A total of 37 fitted parameters were determined (22 rotational and centrifugal parameters and 15 parameters of spin-rotation coupling). The appearance of strong Coriolis resonance interactions between the (001) and (100) vibrational states in the sets of (001)[N,Ka = 9], (001)[N,Ka = 17], (001)[N,Ka = 18] and (001)[N,Ka = 19] spin-rotation-vibration levels was experimentally observed for the first time and explained. The drms = 1.4 × 10−4 cm−1 reproduction of the initial “experimental” upper ro-vibrational energy values was achieved which is considerably better compared to the use of parameters from a previous study ([J. Ortigoso et al., J. Mol. Spectrosc., 1992, 155, 25-43]).
333			_aРежим доступа: по договору с организацией-держателем ресурса
461			_tPhysical Chemistry Chemical Physics
463			_tVol. 23, iss. 8 _v[P. 6270-6287] _d2023
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	_aGromova _bO. V. _cphysicist _cProfessor of Tomsk Polytechnic University, Candidate of physical and mathematical sciences _f1982- _gOlga Vasilievna _2stltpush _3(RuTPU)RU\TPU\pers\34333
701		1	_aKakaulin _bA. N. _cphysicist _cTechnician of Tomsk Polytechnic University _f1998- _gAleksey Nikolaevich _2stltpush _3(RuTPU)RU\TPU\pers\47224
701		1	_aMerkulova _bM. A. _cphysicist _cEngineer of Tomsk Polytechnic University _f1996- _gMaria Andreevna _2stltpush _3(RuTPU)RU\TPU\pers\46724
701		1	_aSydow _bCh. _gChristian
701		1	_aBeryozkin _bK. B. _cphysicist _ctechnician Tomsk Polytechnic University _f1987- _gKirill Borisovich _2stltpush _3(RuTPU)RU\TPU\pers\34702
701		1	_aBauerecker _bS. _gSigurd
712	0	2	_aНациональный исследовательский Томский политехнический университет _bИсследовательская школа физики высокоэнергетических процессов _c(2017- ) _h8118 _2stltpush _3(RuTPU)RU\TPU\col\23551
801		2	_aRU _b63413507 _c20230504 _gRCR
856	4		_uhttps://doi.org/10.1039/D2CP05604F
942			_cCF