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101 0 _aeng
135 _adrcn ---uucaa
181 0 _ai
182 0 _ab
200 1 _aThe torsional fundamental band and high-J rotational spectra of the ground, first and second excited torsional states of acetone
_fV. V. lyushin, I. Armieieva, O. A. Dorovskaya [et al.]
203 _aText
_celectronic
300 _aTitle screen
320 _a[References: 32 tit.]
330 _aWe present a new global study of the millimeter, submillimeter and far-infrared (FIR) spectra involving the three lowest torsional states of acetone ((CH3)2CO). New microwave measurements have been carried out between 34 and 940 GHz using spectrometers in IRA NASU (Ukraine), and PhLAM Lille (France). The FIR spectrum of acetone has been recorded on the AILES beamline of the SOLEIL synchrotron facility. The new data involving torsion-rotation transitions with J up to 90 and Ka up to 52 were combined with previously published measurements and analyzed using a model developed recently to study the high resolution spectra of molecules with two equivalent methyl rotors and C2v symmetry at equilibrium (PAM_C2v_2tops program). The final fit included 117 parameters to give an overall weighted root-mean-square deviation of 0.85 for the dataset consisting of 29,584 microwave and 1116 FIR line frequencies belonging, respectively, to the three lowest torsional states (ν12,ν17) = (0,0), (1,0), (0,1) and to the observed fundamental band associated with the methyl-top torsion mode (ν12,ν17) = (0,1) ← (0,0). The high values of rotational quantum numbers involved in this study provide an opportunity to test the performance of the PAM_C2v_2tops program approach for the case of highly excited rotational states.
333 _aРежим доступа: по договору с организацией-держателем ресурса
461 _tJournal of Molecular Spectroscopy
463 _tVol. 363
_v[111169, 9 p.]
_d2019
610 1 _aэлектронный ресурс
610 1 _aтруды учёных ТПУ
610 1 _aacetone
610 1 _amicrowave spectrum
610 1 _atorsional fundamental band
610 1 _amethyl top internal rotation
610 1 _aацетон
610 1 _aСВЧ
610 1 _aторсионные поля
701 1 _alyushin
_bV. V.
_gVadim Vadimovich
701 1 _aArmieieva
_bI.
701 1 _aDorovskaya
_bO. A.
_gOlga Anatoljevna
701 1 _aKrapivin
_bI. S.
_gIgor
701 1 _aAlekseev
_bE. A.
_gEvgeny Anatoljevich
701 1 _aTudorie
_bM.
_gMarcela
701 1 _aMotienko
_bR. A.
701 1 _aMargules
_bL. D.
_gLaurent
701 1 _aPirali
_bO.
_gOlivier
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 _aBauerekker (Bauerekker)
_bZ. Kh.
_gZigurd Khermann
701 1 _aSydow
_bCh.
_gChristian
701 1 _aDrouin
_bB. J.
_gBrian
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
_c20210204
_gRCR
856 4 _uhttps://doi.org/10.1016/j.jms.2019.06.008
942 _cCF