Number of the records: 1
Rotational and Rovibrational Spectroscopy of CH3NC of the Ground and v(4)=1 Vibrational States
- 1.
SYSNO ASEP 0358329 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Rotational and Rovibrational Spectroscopy of CH3NC of the Ground and v(4)=1 Vibrational States Author(s) Pracna, Petr (UFCH-W)
Urban, Jiří (UFCH-W) RID
Votava, Ondřej (UFCH-W) RID, ORCID
Meltzerová, Z. (CZ)
Urban, Š. (CZ)
Horneman, V. M. (FI)
Drouin, B. J. (US)Source Title Journal of Physical Chemistry A. - : American Chemical Society - ISSN 1089-5639
Roč. 115, č. 6 (2011), s. 1063-1068Number of pages 6 s. Language eng - English Country US - United States Keywords resolution infrared spectroscopy ; methyl isocyanide ; microwave spectra Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA400400706 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) LC06071 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000287066000014 DOI 10.1021/jp1090312 Annotation 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. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2012
Number of the records: 1