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McCarthy MC, Baraban JH, Changala PB, et al. Discovery of a Missing Link: Detection and Structure of the Elusive Disilicon Carbide Cluster. J Phys Chem Lett. 2015;6(11):2107-11doi: 10.1021/acs.jpclett.5b00770.
McCarthy, M. C., Baraban, J. H., Changala, P. B., Stanton, J. F., Martin-Drumel, M. A., Thorwirth, S., Gottlieb, C. A., & Reilly, N. J. (2015). Discovery of a Missing Link: Detection and Structure of the Elusive Disilicon Carbide Cluster. The journal of physical chemistry letters, 6(11), 2107-11. https://doi.org/10.1021/acs.jpclett.5b00770
McCarthy, Michael C, et al. "Discovery of a Missing Link: Detection and Structure of the Elusive Disilicon Carbide Cluster." The journal of physical chemistry letters vol. 6,11 (2015): 2107-11. doi: https://doi.org/10.1021/acs.jpclett.5b00770
McCarthy MC, Baraban JH, Changala PB, Stanton JF, Martin-Drumel MA, Thorwirth S, Gottlieb CA, Reilly NJ. Discovery of a Missing Link: Detection and Structure of the Elusive Disilicon Carbide Cluster. J Phys Chem Lett. 2015 Jun 04;6(11):2107-11. doi: 10.1021/acs.jpclett.5b00770. Epub 2015 May 22. PMID: 26266510.
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J Phys Chem Lett. 2015 Jun 04;6(11):2107-11. doi: 10.1021/acs.jpclett.5b00770. Epub 2015 May 22.

Discovery of a Missing Link: Detection and Structure of the Elusive Disilicon Carbide Cluster.

The journal of physical chemistry letters

Michael C McCarthy, Joshua H Baraban, P Bryan Changala, John F Stanton, Marie-Aline Martin-Drumel, Sven Thorwirth, Carl A Gottlieb, Neil J Reilly

Affiliations

  1. ‡Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309, United States.
  2. ¶JILA, National Institute of Standards and Technology, and Department of Physics, University of Colorado, Boulder, Colorado 80309, United States.
  3. §Institute for Theoretical Chemistry, Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712, United States.
  4. ?I. Physikalisches Institut, Universität zu Köln, Zülpicher Str. 77, 50937 Köln, Germany.

PMID: 26266510 DOI: 10.1021/acs.jpclett.5b00770

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.

Keywords: Chemical Bonding; Molecular Structure; Quantum-Chemical Calculations; Rotational Spectroscopy

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