Theoretical vibration-rotation spectrum of Si2C

Details Theoretical vibration-rotation spectrum of Si2C Theoretical vibration-rotation spectrum of Si2C

Oct 1992

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1992apj...398..706g&link_type=abstract

Astrophysical Journal, Part 1 (ISSN 0004-637X), vol. 398, no. 2, p. 706-708.

Astronomy and Astrophysics

Astrophysics

Molecular Energy Levels, Rotational Spectra, Silicon Carbides, Vibrational Spectra, Dipole Moments, Ground State

Scientific paper

The theoretical potential energy function has been generated and used in the evaluation of the vibration-rotation energy levels of the 1A1 electric ground state of Si2C. For the bent equilibrium structure, the rotational constants and the vibrational band origins up to 1200/cm are given. The height of the barrier to linearity has been calculated to be 310/cm. The shallow potential energy function along the bending coordinate results in large amplitude bending modes. For the low bending modes and the fundamental stretching modes vibrational band intensities and rotational line strengths have been evaluated from the dipole moment functions. The dipole moment in the vibrational ground state has been calculated to be 0.90 D.

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