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 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.
Original language | English |
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Pages (from-to) | 2107-2111 |
Number of pages | 5 |
Journal | Journal of Physical Chemistry Letters |
Volume | 6 |
Issue number | 11 |
DOIs | |
State | Published - 4 Jun 2015 |
Externally published | Yes |
Keywords
- Chemical Bonding
- Molecular Structure
- Quantum-Chemical Calculations
- Rotational Spectroscopy
ASJC Scopus subject areas
- General Materials Science
- Physical and Theoretical Chemistry