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• W1511752617 startingPage "27" @default.
• W1511752617 abstract "Isolated SiH stretching frequencies vis(SiH) are reported for the species SiHDX2 (X = F or Cl), SiHD2NMe2, SiHD2OMe, (SiHD2NMe and (SiHD2)2S. IR spectra in the gas and solid phases are also shown for CHD2OSiH3. Splittings of vas(CH3) in (CH3)2)SiH2 and (CH3)3 SiH are reported, from which vis(CH) values are deduced. Evidence for the structures of these molecules is discussed. Ab initio structures have been determined using a 4–21G/3-3-21G basis set for the above molecules, and for SiH4, SiH3F, SiHF3, SiH3Cl, SiHCl3, SiH3Me, SiH2Me2, SiHMe3, SiH3CN, SiH3CCH, SiH3SiH3, SiH3CH2CH3, SiH3CH3Cl, SiH3CHCH2 and CH3CH2CH3. The re(SiH) and re(CH) values are tabulated. A good correlation is found between vis(SiH) and re(SiH) re(SiH)(Å) = 1.9089 − 1.998 × 10−4vis (SiH) (cm−1) Plots for SiH2Cl2, and SiHCl3 reveal large anomalies, but SiH3CN and SiH3CCH behave normally. Results are compared with similar ones for CH bonds. The CH bond length asymmetry in Me2SiH2 and Me3SiH revealed by the vas(CH3) splittings is confirmed by the ab initio calculations. The effect of conformation on the β effect of methyl on SiH and CH bonds is explored." @default.
• W1511752617 created "2016-06-24" @default.
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• W1511752617 date "1992-07-01" @default.
• W1511752617 modified "2023-10-11" @default.
• W1511752617 title "Infrared and ab initio studies of molecules containing SiH bonds" @default.
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• W1511752617 doi "https://doi.org/10.1016/0166-1280(92)87033-v" @default.
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