| Literature DB >> 26266510 |
Michael C McCarthy, Joshua H Baraban1, P Bryan Changala2, John F Stanton3, Marie-Aline Martin-Drumel, Sven Thorwirth4, Carl A Gottlieb, Neil J Reilly.
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) Å, and an apex angle of 114.87(5)°. Now that all four Si(m)C(n) 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.Entities:
Keywords: Chemical Bonding; Molecular Structure; Quantum-Chemical Calculations; Rotational Spectroscopy
Year: 2015 PMID: 26266510 DOI: 10.1021/acs.jpclett.5b00770
Source DB: PubMed Journal: J Phys Chem Lett ISSN: 1948-7185 Impact factor: 6.475