Fourier transform vibrational spectroscopy of Si2C in solid Ar

Abstract

Fourier transform infrared observation of the ν2 stretching mode of the HCCCO radical in solid Ar J. Chem. Phys. 98, 9251 (1993); 10.1063/1.464405Fourier transform far infrared spectroscopy of the ν' 3 vibration of SiC2 in Ar at 10 K A Fourier transform infrared study of the vibrational spectrum of Si 2 C produced by vaporizing mixtures of silicon and carbon-12 or carbon-13 and quenching the products in Ar at 13 K has confirmed a previously observed vibration at 1188.4 cm -1 as the v~ (b 2 ), antisymmetric Si-C stretching mode, and resulted in the identification of a new vibration at 839.5 cm -1 as the vi'(a l ), symmetric Si-Si stretching fundamental. No bending mode has been observed; however, the identification of an absorption at 1354.8 cm -I as the v;(a l ) + V~(b2) combination band is proposed. The results are confirmed by l3C, 29Si, and 30Si isotopic data and are in excellent agreement with the predictions of ab initio calculations carried out by Rittby in collaboration with this work. Force constant adjustment calculations confirm the ground state geometry as a floppy, bent symmetrical structure.

Theoretical Study of the Electronic States of Si2C

“…[7][8][9][10][11][12] The ground state has been found to have a bent equilibrium structure with a shallow bending part of the potential energy function (PEF). The assignments made in ref 5 have been confirmed by the calculations of the harmonic fundamental vibrational wavenumbers and intensities by Rittby. 10 Previously, we have reported the anharmonic vibrational wavenumbers, vibrational band intensities, and absolute line strengths.…”

Fourier transform infrared observation of the ν1(σ) mode of linear SiCH in Ar at 10 K

“…The results of extensive measurements of D and 13 C isotopic shifts are in good agreement with the predictions of new ab initio calculations performed at the CCSD͑T͒/6-31G** ͑coupled cluster with single, double and partial inclusion of triple excitations͒ level, and confirm the identification of the linear SiCH radical. © 1998 American Institute of Physics.…”

Vibrational spectra of tetra-atomic silicon–carbon clusters. II. Si2C2 in Ar at 10 K

“…23,24 IV. RESULTS AND DISCUSSION Figure 3͑a͒ shows absorptions at 982.9 and 382.2 cm Ϫ1 observed in the spectra of the products of the evaporation of a Si/C mixture containing 100% 12 C. Figure 3͑b͒ shows the same regions with the corresponding absorptions which result when mixtures with 70% 13 C and 30% 12 C were used, and Fig.…”