TARA: Rotational and Rovibrational Spectroscopy of the v8=1 and 2 Vibrational States of CH3NC

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Please use this identifier to cite or link to this item: http://hdl.handle.net/2262/64533

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Title:	Rotational and Rovibrational Spectroscopy of the v8=1 and 2 Vibrational States of CH3NC
Keywords:	Physical Sciences
Issue Date:	4-Aug-2011
Publisher:	Taylor & Francis
Abstract:	Abstract The lowest frequency vibration-rotation band ν8, 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 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 v8 = 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 v8 = 2 level. The parallel component of the overtone band nu8 with band center at 524.6 cm-1 was assigned for the first time from spectra in the region from 480 to 585 cm-1 together with the hot bands 2nu8-nu8 in the region of the fundamental band.
URI:	http://hdl.handle.net/2262/64533
ISSN:	0026-8976 (pISSN) 1362-3028 (eISSN) 0026-8976 (ISSN)
DOI:	10.1080/00268976.2011.605775
Affiliation:	J. Heyrovsky Institute of Physical Chemistry - Dolejškova 3--> - Prague - CZECH REPUBLIC (Pracna, Petr) J. Heyrovsky Institute of Physical Chemistry - Dolejskova 3--> - 18223 - Prague - CZECH REPUBLIC (Urban, Jiří) J. Heyrovsky Institute of Physical Chemistry - Dolejskova 3--> - 18223 - Prague - CZECH REPUBLIC (Votava, Ondřej) Institute of Chemical Technology, Department of Analytical Chemistry - Technická 5--> - 16628 - Prague - CZECH REPUBLIC (Urban, Štěpán) Institute of Chemical Technology, Department of Analytical Chemistry - Technická 5--> - 16628 - Prague - CZECH REPUBLIC (Meltzerová, Zuzana) University of Oulu, Department of Physics - B.O.X 3000--> - 90014 - Oulu - FINLAND (Horneman, Veli-Matti)
Appears in Collections:	PEER Publications

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