McCarthy, Michael C., Baraban, Joshua H., Changala, P. Bryan, Stanton, John F., Martin-Drumel, Marie-Aline ORCID: 0000-0002-5460-4294, Thorwirth, Sven ORCID: 0000-0001-8200-6710, Gottlieb, Carl A. and Reilly, Neil J. (2015). Discovery of a Missing Link: Detection and Structure of the Elusive Disilicon Carbide Cluster. J. Phys. Chem. Lett., 6 (11). S. 2107 - 2112. WASHINGTON: AMER CHEMICAL SOC. ISSN 1948-7185

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Abstract

The rotational spectrum of the elusive but fundamentally important silicon carbide SiCSi has been detected using sensitive microwave techniques aided by high-level ab initio methods. Its equilibrium structure has been determined to very high precision using isotopic substitution and vibrational corrections calculated quantum-chemically: it is an isosceles triangle with a Si-C bond length of 1.693(1) angstrom, and an apex angle of 114.87(5)degrees. Now that all four SimCn clusters with m + n = 3 have been observed experimentally, their structure and chemical bonding can be rigorously compared. Because Si2C is so closely linked to other Si-bearing molecules that have been detected in the evolved carbon star IRC+10216, it is an extremely promising candidate for detection with radio telescopes.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
McCarthy, Michael C.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Baraban, Joshua H.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Changala, P. BryanUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Stanton, John F.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Martin-Drumel, Marie-AlineUNSPECIFIEDorcid.org/0000-0002-5460-4294UNSPECIFIED
Thorwirth, SvenUNSPECIFIEDorcid.org/0000-0001-8200-6710UNSPECIFIED
Gottlieb, Carl A.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Reilly, Neil J.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-401260
DOI: 10.1021/acs.jpclett.5b00770
Journal or Publication Title: J. Phys. Chem. Lett.
Volume: 6
Number: 11
Page Range: S. 2107 - 2112
Date: 2015
Publisher: AMER CHEMICAL SOC
Place of Publication: WASHINGTON
ISSN: 1948-7185
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
SILICON-CARBON CLUSTERS; AB-INITIO; ROTATIONAL SPECTRUM; ELECTRONIC STATES; SI2C; SPECTROSCOPY; SIC2Multiple languages
Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & ChemicalMultiple languages
URI: http://kups.ub.uni-koeln.de/id/eprint/40126

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