Rotational and Rovibrational Spectroscopy of CH3NC of the Ground and v(4)=1 Vibrational States

0358329 - ÚFCH JH 2012 RIV US eng J - Journal Article
Pracna, Petr - Urban, Jiří - Votava, Ondřej - Meltzerová, Z. - Urban, Š. - Horneman, V. M. - Drouin, B. J.
Rotational and Rovibrational Spectroscopy of CH3NC of the Ground and v(4)=1 Vibrational States.
Journal of Physical Chemistry A. Roč. 115, č. 6 (2011), s. 1063-1068. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR IAA400400706; GA MŠMT LC06071
Institutional research plan: CEZ:AV0Z40400503
Keywords : resolution infrared spectroscopy * methyl isocyanide * microwave spectra
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011

The parallel vibration-rotation band v(4) of methyl isocyanide (CH3NC), with a band center at 944.9 cm(-1), was studied by FTIR spectroscopy between 890 and 980 cm(-1) in order to improve the ground-state rotational constants. Such improvement is essential for the scheduled studies of excited vibrational levels and their mutual anharmonic resonances occurring at higher values of the K rotational number. Ground-state combination differences generated from this band, spanning values of J/K from 0 to 85/13, were combined with rotational data from the literature and newly measured rotational transitions, extending the J/K range from 3/0 up to 31/14, and fitted simultaneously with a fully quantitative reproduction of the data. The infrared data of the v(4) band were analyzed together with rotational data of the v(4) = 1 level, spanning values of J/K from 4/0 to 14/12.
Permanent Link: http://hdl.handle.net/11104/0006395