Theoretical study of HSiO/+/ and HOSi/+/

Details Theoretical study of HSiO/+/ and HOSi/+/ Theoretical study of HSiO/+/ and HOSi/+/

Mar 1978

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1978apj...220..737w&link_type=abstract

Astrophysical Journal, Part 1, vol. 220, Mar. 1, 1978, p. 737, 738.

Astronomy and Astrophysics

Astrophysics

12

Interstellar Chemistry, Molecular Ions, Quantum Mechanics, Silicon Compounds, Hartree-Fock-Slater Method, Isomers, Molecular Orbitals, Molecular Rotation, Molecular Structure, Silicon Oxides

Scientific paper

Results are reported for quantum-mechanical studies of the ions HSiO(+) and HOSi(+). The equilibrium geometries, rotation constants, and relative stabilities of these ions are determined using the matrix Hartree-Fock model with a basis set of Slater exponential functions. Optimum bond lengths are calculated, and an empirical correction to the computed bond lengths is introduced. The isomer HOSi(+) is found to be more stable than HSiO(+). A frequency of 35.77 GHz is obtained for the J = 1-0 transition of HOSi(+) by assuming that the vibration-rotation interaction constants for this isomer are the same as those for HCP.

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