Vibrational spectra and normal coordinate analysis of silyl pseudohalides. Part 1.—Silyl isothiocyanate

Abstract

We have obtained band positions for the fundamental vibrations of SiH₃¹⁴N¹²CS, SiD₃¹⁴N¹²CS, SiH₃¹⁵N¹²CS and SiH₃¹⁵N¹³CS in nitrogen matrices and have used the frequencies and isotope shifts to define a harmonic force field and confirm the vibrational assignment. Comparison of observed and calculated values of Coriolis coupling constants, centrifugal distortion constants D_J and D_JK, vibrational mean square amplitudes and shrinkages and α^B₁₀ show that these parameters are not in general useful in further constraining the harmonic force field, but may be of use in defining anharmonic potential constants.