ANHARMONICTTY OF TILE VIBRATIONS OF $SiC_{2}$ AND $Si_{2} C$ AT 2000

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1994

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Ohio State University

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Butenhoff and Rohlfing1 report that SiC2 has an anharmonic ground state, based on Laser-induced fluorescence studies. Presilla-Marquez and Graham2 report that SiC2 is a floppy molecule with a bending frequency of 166cm−1. Therefore SiC2 and perhaps Si2C may have some anharmonic behavior which can show up in Kundsen effusion mass spectrometric studies as is the case for C3. A thorough Knudsen-effusion mass spectrometric study of SiC2 and Si2C was carried out: a total of 46 data sets of SiC2 and 52 data seta of Si2C over a temperature range of 1760-2080 K were obtained. Although the main objective of this study was to measure the atomization enthalpies of small silicon-carbide clusters; we also wanted to determine the effect of any anharmonic of SiC2 and Si2C on the experimental result, ~2000 K. Atomization enthalpies of ΔHa,0=1247±7 and ΔHa,0=1048±10 kJ mol−1 are selected for SiC2 and Si2C.

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  1. T. J. Butenhoff and E. A. Rohlfing, J. Chem. Phys. 95, 1 (1991). 2. J. D. Presilla-Maiquez and W. R. M. Graham. J. Chem. Phys. 95, 5612 (1991).

Author Institution: Dept. of Chemistry, Texas A&M University, College Station

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