Microwave and Infrared Spectra of Sulfur Dicyanide: Molecular Structure, Dipole Moment, Quadrupole Coupling Constants, Centrifugal Distortion Constants, and Vibrational Assignment

Abstract

Spectra and structure of small ring compounds. XXXI Microwave, Raman and infrared spectra, conformation, dipole moment, and quadrupole coupling constants of 2oxazoline

Comprehensive analysis of the FASSST rotational spectrum of S(CN)2

“…For the water molecule the quantum monodromy transition point between bent and linear behaviour occurs at the seventh quantum of the water bending vibration [3]. S(CN) 2 is known to have a low frequency bending mode m 4 , with a wavenumber of 135 cm À1 [4], and it was anticipated that with current techniques of rotational spectroscopy it would be possible to follow the excitation of this mode up to a considerable value of v 4 .…”

“…The first investigations of the rotational spectrum of S(CN) 2 were carried out independently in two different laboratories [4,5] and both studies reported spectroscopic constants for the ground state of 32 S(CN) 2 . The dipole moment, l b = 3.01(1) D was determined [5], spectra in several isotopologues were measured, and an r s geometry was reported [5].…”

Vibrational spectra of trifluoromethylsulphenyl cyanide, CF3SCN

“…5 The calculated moments of inertia are 124.1, 302.2 and 338.5 amu A2. An asymmetry parameter [(2B -A -C)/(A -C), with A = I l l , etc.]…”

“…' The polarized band at 702 cm-' in the Raman spectrum of the liquid with its counterpart at 688 cm-' in the IR spectrum of the vapour can be assigned to the S-C(N) stretching mode in comparison with the same modes for CH,SCN and S(CN), . 5 The bands that appear at 485 and 486 cm-I in the IR spectrum of the vapour and the Raman spectrum of the liquid, respectively, can be assigned to the SCN in-plane The remaining low-wavenumber vibrational mode observed is due to C-S-C deformation in the molecule. It has been measured in the Raman spectrum of the liquid at 139 cm-'.…”

The microwave spectrum and structure of bromine thiocyanate, BrSCN

“…However, in the present work we were able to observe rotational transitions of molecules in the first excited state of the lowest frequency mode; from relative intensity measurements we estimate it to be at 154 * 30cm-'. bFixed at the values obtained for S(CN), (4). 'The SCN chain is bent away from the BrS bond.…”