The millimeter-wave spectrum of chlorosilane

Internal Rotation, Quadrupole Coupling, and Structure of (CH3)3SiCl Studied by Microwave Spectroscopy and ab Initio Calculation

“…Following their procedure we obtained for the Si-Cl bond in (CH 3 ) 3 SiCl 32.8% single bond character, 57.7% ionic character, and 9.5% double bond character. Comparing these results with those of H 3 SiCl (35.7% (19,20), it can be seen that the ionic character of the Si-Cl bond becomes larger when the H atoms are replaced by methyl groups.…”

“…[19] Identical coefficients and such coefficients differing only in sign were fitted together. The resulting parameters are shown in Table 13.…”

Pure rotational spectrum, ab initio anharmonic force field, and equilibrium structure of silyl chloride

“…The microwave spectra of the isotopic species have also been analyzed (see [3] and references therein). However, the number of studies devoted to the pure rotational spectrum is small and the most recent work was published as long ago as 1984 [4]. As a consequence, there is no accurate determination of the chlorine nuclear quadrupole coupling constant and the sextic centrifugal distortion constants are not yet reliably determined.…”

Fourier Transform Spectroscopy of the ν3and ν6Bands of D3Si35Cl: Rovibrational Constants of thev= 0,v3= 1, andv6= 1 States

“…An alternative fit which neither considered the Coriolis x, y interaction defined in Eq. [5] nor the r resonance, Eq. [6], had a standard deviation ϭ 47.6 ϫ 10 Ϫ4 cm Ϫ1 which is worse by more than one order of magnitude.…”