Universität zu Köln

Breier, Alexander A., Buechling, Thomas, Schnierer, Rico, Lutter, Volker, Fuchs, GuidoW., Yamada, Koichi M. T., Mookerjea, Bhaswati, Stutzki, Juergen and Giesen, Thomas F. (2016). Lowest bending mode of C-13-substituted C-3 and an experimentally derived structure. J. Chem. Phys., 145 (23). MELVILLE: AMER INST PHYSICS. ISSN 1089-7690

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Abstract

The nu(2) lowest bending mode of linear C-3 and of all its C-13-substituted isotopologues was recorded using a terahertz-supersonic jet spectrometer in combination with a laser ablation source. Sixty-five ro-vibrational transitions between 1.8 and 1.9 THz have been assigned to linear (CCC)-C-12-C-12-C-12, (CCC)-C-12-C-12-C-13, (CCC)-C-12-C-13-C-12, (CCC)-C-13-C-13-C-12, (CCC)-C-13-C-12-C-13, and (CCC)-C-13-C-13-C-13. For each isotopologue, molecular parameters were obtained and the C-C-bond length was derived experimentally. All results are in excellent agreement with recent ab initio calculations [B. Schroder and P. Sebald, J. Chem. Phys. 144, 044307 (2016)]. The new measurements explain why the interstellar search for singly substituted (CCC)-C-12-C-12-C-13 has failed so far. A spectral line list with recommended transition frequencies based on global data fits is given to foster future interstellar detections. Published by AIP Publishing.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Breier, Alexander A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Buechling, Thomas UNSPECIFIED UNSPECIFIED UNSPECIFIED Schnierer, Rico UNSPECIFIED UNSPECIFIED UNSPECIFIED Lutter, Volker UNSPECIFIED UNSPECIFIED UNSPECIFIED Fuchs, GuidoW. UNSPECIFIED UNSPECIFIED UNSPECIFIED Yamada, Koichi M. T. UNSPECIFIED UNSPECIFIED UNSPECIFIED Mookerjea, Bhaswati UNSPECIFIED UNSPECIFIED UNSPECIFIED Stutzki, Juergen UNSPECIFIED UNSPECIFIED UNSPECIFIED Giesen, Thomas F. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-252291
DOI:	10.1063/1.4971854
Journal or Publication Title:	J. Chem. Phys.
Volume:	145
Number:	23
Date:	2016
Publisher:	AMER INST PHYSICS
Place of Publication:	MELVILLE
ISSN:	1089-7690
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language DIODE-LASER SPECTROSCOPY; CARBON CLUSTERS; BAND; MOLECULES; SPECTRA; LINES; C-12; CCC Multiple languages Chemistry, Physical; Physics, Atomic, Molecular & Chemical Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/25229