Ro-vibrational analysis of the hot bands of 13C2H4: v7 + v10 - v10 and v10 + v12 - v10

被引:26
作者
Ulenikov, O. N. [1 ]
Gromova, O. V. [1 ]
Bekhtereva, E. S. [1 ]
Kashirina, N. V. [1 ]
Onopenko, G. A. [2 ]
Maul, C. [3 ]
Bauerecker, S. [3 ]
机构
[1] Natl Res Tomsk Polytech Univ, Inst Phys & Technol, Tomsk 634050, Russia
[2] Tomsk State Univ Architecture & Bldg, Dept Appl Math, Tomsk 634003, Russia
[3] Tech Univ Carolo Wilhelmina Braunschweig, Inst Physikal & Theoret Chem, D-38106 Braunschweig, Germany
关键词
Ethylene; High-resolution spectra; Spectroscopic parameters; Hot band; HIGH-RESOLUTION FTIR; FOURIER-TRANSFORM SPECTRUM; ISOTOPE SUBSTITUTION; GROUND-STATE; ABSORPTION; ETHYLENE; REGION; C2H4; MOLECULE; PRECISE;
D O I
10.1016/j.jms.2015.08.010
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
Two "hot" absorption bands, v(7) + v(10) - v(10) and v(10) + v(12) - v(10), of (C2H4)-C-13 were recorded for the first time with a Bruker high resolution Fourier transform spectrometer and theoretically analyzed. About 640 and 270 transitions (168 and 136 upper state ro-vibrational energy values) with J(max) = 20, K-a(max) = 10 and J(max) = 23,K-a(max) = 9 for the bands v(7) + v(10) - v(10) and v(10) + v(12) - v(10), respectively, were assigned. For that purpose strong local resonance interactions with ten other closely located vibrational states were taken into account. A set of 36 varied parameters was obtained from the fit, which reproduces the initial experimental data with the rms deviation of 6.7 x 10(-4) cm and which is close to experimental uncertainties. (C) 2015 Elsevier Inc. All rights reserved.
引用
收藏
页码:32 / 40
页数:9
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