Universität zu Köln

Thorwirth, Sven ORCID: 0000-0001-8200-6710, Kaiser, Ralf I., Crabtree, Kyle N. and McCarthy, Michael C. (2015). Spectroscopic and structural characterization of three silaisocyanides: exploring an elusive class of reactive molecules at high resolution. Chem. Commun., 51 (56). S. 11305 - 11309. CAMBRIDGE: ROYAL SOC CHEMISTRY. ISSN 1364-548X

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Abstract

Silaisocyanoacetylene, HCCNSi, silaisocyanodiacetylene, HC4NSi, and silaisocyanogen, NCNSi, have been identified spectroscopically for the first time. All three transient species were observed at high spectral resolution at centimeter wavelengths (5-40 GHz) by microwave spectroscopy. From detection of less abundant isotopic species and high-level quantum-chemical calculations, accurate empirical equilibrium structures have been derived for HCCNSi and NCNSi. All three molecules are promising candidates for future radio astronomical detection owing in part to large calculated dipole moments.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Thorwirth, Sven UNSPECIFIED orcid.org/0000-0001-8200-6710 UNSPECIFIED Kaiser, Ralf I. UNSPECIFIED UNSPECIFIED UNSPECIFIED Crabtree, Kyle N. UNSPECIFIED UNSPECIFIED UNSPECIFIED McCarthy, Michael C. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-416335
DOI:	10.1039/c5cc02548f
Journal or Publication Title:	Chem. Commun.
Volume:	51
Number:	56
Page Range:	S. 11305 - 11309
Date:	2015
Publisher:	ROYAL SOC CHEMISTRY
Place of Publication:	CAMBRIDGE
ISSN:	1364-548X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language SUBMILLIMETER-WAVE SPECTRUM; AB-INITIO; INTERSTELLAR-MEDIUM; ROTATIONAL SPECTRA; FOURIER-TRANSFORM; MICROWAVE-SPECTRA; BASIS-SETS; HNSI; MILLIMETER; SILICON Multiple languages Chemistry, Multidisciplinary Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/41633