Articles you may be interested inAnharmonic force field and vibrational dynamics of CH2F2 up to 5000 cm−1 studied by Fourier transform infrared spectroscopy and state-of-the-art ab initio calculations
A Fourier transform infrared study has resulted in the first observation of a vibrational spectrum of the linear SiCCH radical produced by trapping the products of the vacuum ultraviolet photolysis of a mixture of SiH 4 silane, and C 2 H 2 acetylene, in an Ar matrix at 10 K. Two fundamentals have been observed, the 2 (), carbon-carbon stretching mode at 1989.8 cm Ϫ1 and the 3 (), silicon-carbon stretching mode at 636.0 cm Ϫ1 . The frequency of the 1989.8 cm Ϫ1 band and the results of extensive measurements of D and 13 C isotopic shifts are in good agreement with the predictions of new CCSD͑T͒ ͑coupled cluster with single, double, and triple excitations͒ ab initio calculations for the 2 mode, while the assignment of the 636.0 cm Ϫ1 band is considered somewhat less certain.
A Fourier transform infrared study has resulted in the first observation of a vibrational spectrum of the nonplanar H 2 SiCCH radical produced by trapping the products of the vacuum ultraviolet photolysis of a mixture of SiH 4 silane, and C 2 H 2 acetylene, in an Ar matrix at ϳ10 K. Two vibrational fundamentals have been observed, the 3 (aЈ), silicon-carbon stretching mode at 2055.6 cm Ϫ1 and the 4 (aЈ), hydrogen-silicon bending mode at 926.8 cm Ϫ1 . The vibrational frequencies, relative intensities, and extensive measurements of D and 13 C isotopic shifts are all in good agreement with the values predicted by new density functional theory calculations.
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