Universität zu Köln

Thorwirth, Sven ORCID: 0000-0001-8200-6710, Lutter, Volker, Javed, Alireza Javadi, Gauss, Juergen and Giesen, Thomas F. (2016). Gas-Phase Spectroscopic Detection and Structural Elucidation of Carbon-Rich Group 14 Binary Clusters: Linear GeC3Ge. J. Phys. Chem. A, 120 (2). S. 254 - 260. WASHINGTON: AMER CHEMICAL SOC. ISSN 1089-5639

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Abstract

Guided by high-level quantum-chemical calculations at the CCSD(T) level of theory, the first polyatomic germanium-carbon cluster, linear Ge2C3, has been observed at high spectral resolution in the gas phase through its remarkably complex fundamental antisymmetric C-C stretching mode v(3) located at 1932 cm(-1). The observation of a total of six isotopic species permits the derivation of a highly accurate value for the equilibrium Ge-C bond length. The present study suggests that many more Ge-C species might be detectable in the future using a combination of laser-ablation techniques for production and high-resolution infrared and/or microwave techniques for spectroscopic detection.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Thorwirth, Sven UNSPECIFIED orcid.org/0000-0001-8200-6710 UNSPECIFIED Lutter, Volker UNSPECIFIED UNSPECIFIED UNSPECIFIED Javed, Alireza Javadi UNSPECIFIED UNSPECIFIED UNSPECIFIED Gauss, Juergen UNSPECIFIED UNSPECIFIED UNSPECIFIED Giesen, Thomas F. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-287075
DOI:	10.1021/acs.jpca.5b11374
Journal or Publication Title:	J. Phys. Chem. A
Volume:	120
Number:	2
Page Range:	S. 254 - 260
Date:	2016
Publisher:	AMER CHEMICAL SOC
Place of Publication:	WASHINGTON
ISSN:	1089-5639
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language CONSISTENT BASIS-SETS; INFRARED-LASER SPECTROSCOPY; CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; VIBRATIONAL-SPECTRA; AB-INITIO; EQUILIBRIUM STRUCTURE; HOT-BAND; SILICON; ATOMS Multiple languages Chemistry, Physical; Physics, Atomic, Molecular & Chemical Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/28707