Molecular calcium in interstellar space and circumstellar envelopes? A possible candidate - CaC2

Details Molecular calcium in interstellar space and circumstellar envelopes? A possible candidate - CaC2 Molecular calcium in interstellar space and circumstellar envelopes? A possible candidate - CaC2

Jul 1991

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1991a%26a...247l...1r&link_type=abstract

Astronomy and Astrophysics (ISSN 0004-6361), vol. 247, no. 1, July 1991, p. L1-L4.

Astronomy and Astrophysics

Astrophysics

2

Calcium Compounds, Interstellar Space, Molecular Clouds, Stellar Envelopes, Carbides, Cosmochemistry

Scientific paper

A theoretical study of the possible structures of Calcium dicarbide has been carried out at the SCF-CI level using the perturbative MP2 and multireference MP2 formalisms to account for electronic correlation. The ground state of the system has a triangular geometry of C(2v) symmetry. The first linear structure is found 8 kcal/mol higher. The strong dipole moment of the triangular form, 13.3 Debye, reflects the ionic character Ca(+)C2(-) of the dominant configuration and makes this molecule a promising candidate for radio detection in circumstellar envelopes and interstellar space.

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