AB initio predictions for silicon analogs of astrophysically interesting molecules - SiC2H2, SiH2CN, SiH2C2, and CH2CSi

Details AB initio predictions for silicon analogs of astrophysically interesting molecules - SiC2H2, SiH2CN, SiH2C2, and CH2CSi AB initio predictions for silicon analogs of astrophysically interesting molecules - SiC2H2, SiH2CN, SiH2C2, and CH2CSi

May 1990

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1990apj...354..229c&link_type=abstract

Astrophysical Journal, Part 1 (ISSN 0004-637X), vol. 354, May 1, 1990, p. 229-231.

Astronomy and Astrophysics

Astrophysics

4

Cyano Compounds, Cyclopropane, Interstellar Chemistry, Molecular Clouds, Silicon Compounds, Vinylidene, Ground State, Molecular Chains, Molecular Energy Levels, Molecular Rotation, Wave Functions

Scientific paper

Ab initio geometries are reported for silicon analogs of the cyclopropenylidene ring, the cyanomethyl radical, and the vinylidenecarbene chain. The calculations employ fairly large basis sets, and, where appropriate, they are based on small multiconfiguration wave functions. The theoretical predictions should prove useful for laboratory and astronomical studies of these silicon-containing molecules.

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