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Rotational and rovibrational spectroscopy of the v 8 = 1 and 2 vibrational states of CH3NC
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SYSNO ASEP 0365981 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Rotational and rovibrational spectroscopy of the v 8 = 1 and 2 vibrational states of CH3NC 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)Source Title Molecular Physics. - : Taylor & Francis - ISSN 0026-8976
Roč. 109, 17-18 (2011), s. 2237-2243Number of pages 7 s. Language eng - English Country GB - United Kingdom Keywords methyl isocyanide ; high-resolution FTIR spectroscopy ; submillimeter wave spectroscopy 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 000296554100017 DOI 10.1080/00268976.2011.605775 Annotation The lowest frequency vibration–rotation band ν 8, corresponding to the degenerate CNC bending vibration of methyl isocyanide (CH3NC) with band center at 267.3 cm−1, was studied by FTIR spectroscopy between 215 and 320 cm−1 and rotational spectroscopy in the range from 201 to 383 GHz in order to describe the vibration–rotation dynamics with the inclusion of all important anharmonic and vibration–rotation interactions. Assignments extended to higher-K rotational states in both vibration–rotation and rotational spectra reveal a resonance crossing with the v 8 = 2 overtone level due to a local anharmonic Fermi resonance. The simultaneous analysis of both types of data provides a fully quantitative reproduction of the experimental data as well as a preliminary characterization of the v 8 = 2 level. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2012
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