Universität zu Köln

Mueller, Holger S. P., Belloche, Arnaud, Lewen, Frank ORCID: 0000-0003-4555-2303, Drouin, Brian J., Sung, Keeyoon ORCID: 0000-0002-8030-7410, Garrod, Robin T. and Menten, Karl M. (2021). Toward a global model of the interactions in low-lying states of methyl cyanide: Rotational and rovibrational spectroscopy of the upsilon(4)=1 state and tentative interstellar detection of the upsilon(4) = upsilon(8)=1 state in Sgr B2(N). J. Mol. Spectrosc., 378. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE. ISSN 1096-083X

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Abstract

spectra to extend the global model of low-lying vibrational states and their interactions to upsilon(4) = 1 at 920 cm(-1). The rotational spectra cover large portions of the 36-1439 GHz region and reach quantum numbers J and K of 79 and 16, respectively. Information on the K level structure of CH3CN is obtained from IR spectra. A spectrum of 2 nu(8) around 717 cm(-1), analyzed in our previous study, covered also the nu(4) band. The assignments in this band cover 880-952 cm(-1), attaining quantum numbers J and K of 61 and 13, respectively. The most important interaction of upsilon(4) = 1 appears to be with upsilon(8) = 3, Delta K = 0, Delta l = +3, a previously characterized anharmonic resonance. We report new analyses of interactions with Delta K = -2 and Delta l = +1, with Delta K = -4 and Delta l = -1, and with Delta K = -6 and Delta l = -3, these four types of interactions connect all l substates of upsilon(8) = 3 in energy to upsilon(4) = 1. A known Delta K = -2, Delta l = +1 interaction with upsilon(7) = 1 was also analyzed, and investigations of the Delta K = +1, Delta l = -2 and Delta K = +3, Delta l = 0 resonances with upsilon(8) = 2 were improved, as were interactions between successive states with upsilon(8) <= 3, mainly through new upsilon(8) <= 2 rotational data. A preliminary single state analysis of the upsilon(4) = upsilon(8) = 1 state was carried out based on rotational transition frequencies and on nu(4) + nu(8) - nu(8) hot band data. A considerable fraction of the K levels was reproduced within uncertainties in its entirety or in part, despite obvious widespread perturbations in upsilon(4) = upsilon(8) = 1. In addition to the interstellar detection of rotational transitions of methyl cyanide from within all vibrational states up to upsilon(4) = 1, we report the tentative detection of upsilon(4) = upsilon(8) = 1 toward the main hot molecular core of the protocluster Sagittarius B2(N) employing the Atacama Large Millimeter/ submillimeter Array. (C) 2021 Elsevier Inc. All rights reserved.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Mueller, Holger S. P. UNSPECIFIED UNSPECIFIED UNSPECIFIED Belloche, Arnaud UNSPECIFIED UNSPECIFIED UNSPECIFIED Lewen, Frank UNSPECIFIED orcid.org/0000-0003-4555-2303 UNSPECIFIED Drouin, Brian J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Sung, Keeyoon UNSPECIFIED orcid.org/0000-0002-8030-7410 UNSPECIFIED Garrod, Robin T. UNSPECIFIED UNSPECIFIED UNSPECIFIED Menten, Karl M. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-590905
DOI:	10.1016/j.jms.2021.111449
Journal or Publication Title:	J. Mol. Spectrosc.
Volume:	378
Date:	2021
Publisher:	ACADEMIC PRESS INC ELSEVIER SCIENCE
Place of Publication:	SAN DIEGO
ISSN:	1096-083X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language EXPLORING MOLECULAR COMPLEXITY; LASER STARK SPECTROSCOPY; SYMMETRIC TOP MOLECULES; INFRARED-SPECTRUM; MICROWAVE-SPECTRA; FERMI RESONANCE; HIGH-RESOLUTION; VIBRATIONAL POLYADS; BAND SYSTEM; CH3CN Multiple languages Physics, Atomic, Molecular & Chemical; Spectroscopy Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/59090