Characterization of C_3HSi^-

Details Characterization of C_3HSi^- Characterization of C_3HSi^-

Jun 2010

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..confeti03i&link_type=abstract

"International Symposium On Molecular Spectroscopy, 65th Meeting, Held 21-25 June, 2010 at Ohio State University. http://molspec

Astronomy and Astrophysics

Astrophysics

Theory

Scientific paper

Structural and spectroscopic properties of the astrophysically relevant SiC_3H^- anion are investigated at the RCCSD(T) and CASSCF levels of theory. The molecule presents a total of 12 isomers (4 lineal and 8 cyclic), all of them showing singlet ground electronic states. The stability of the linear isomer {l}-SiC_3H^- (X^1 Σ^-) is notorious. The B0 rotational constant of {l}-Si12C_3H^- and {l}-Si12C_3D^-, the dipole moment, excitation energies to the lowest electronic states and electron affinities have been estimated.

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