The Microwave Spectrum of Silylisothiocyanate, SiH₃NCS

Abstract

The microwave spectra of

The molecular structure of difluoroisocyanato silane: A combined microwave spectral and theoretical study

“…Owing to the differing types of vibrational averaging, electron diffraction (ED) results can lead to considerably different structures to those from high resolution (MW and IR) spectroscopy. Some simple cases where this is exemplified are MeNCS [6], H 3 SiNCO [6][7][8][9][10], H 3 SiNCS [7,8,[10][11][12][13][14].…”

The Rotational Zeeman Effect of Methyl-and Silylbromide

“…Silylbromide was prepared by reaction of hydrogenbromide with phenylsilane at -78 °C [3]. The spectra were recorded with a conventional 33 kHz square wave Stark effect modulated microwave spectrometer equipped with an electromagnet.…”

“…For the analysis of the rotational spectra of SiH3 79 Br and SiD3 79 Br in the absence of the magnetic field, we have used the same effective rotational Hamiltonian as in our previous work [3] on the rotational spectrum of SiH3 81 Br with matrix elements in the coupled basis as given in Eq. (1) of Reference [3].…”

“…J?Q is the bromine nuclear quadrupole interaction Hamiltonian [7]. J^SR stands for the interaction of the Br-nuclear magnetic moment with the magnetic field produced by the overall rotation of the molecular charge distribution [3,8,9]. Jfg mo1…”

“…As for SiH3Br, we used Eq. (1) of [3] to determine Bq, Dj, eqQ, and C± from the observed frequencies (see Table 8). The molecular constants obtained here agree with those given by Demaison et al [15] to within two standard deviations, but only eqQ is determined more accurately here.…”