17178-58-4Relevant academic research and scientific papers
Gas-phase generation and infrared spectroscopy of metastable NS-SCN molecule
Ajji,Naima,Odeh, Mohammad N.,Allaf, Abdul W.
, (1999)
Metastable thiazyl thiocyanide (NS-SCN) molecules were produced using an on-line process from the low pressure, gas-phase pyrolysis of thiazyl chloride over heated AgSCN. The products in the vapor phase were characterized by low resolution Fourier transfo
An investigation of the low temperature infrared spectrum of solid films of thiazyl chloride, NSCl
Emken, Walter C.,Hedberg, Kenneth W.,Decius, John C.
, p. 207 - 212 (1997)
The infrared spectrum of solid films of thiazyl chloride on various substrates cooled with liquid nitrogen has been investigated from 95 to 4000 cm-1. The investigation showed the existence of two forms of the solid thiazyl chloride films: one
An experimental and theoretical study of NSCl decomposition in the presence of trace amounts of water
Guo, Zhen,Zhao, Cunyuan,Phillips, David Lee,Robertson, Evan G.,McNaughton, Don
, p. 8561 - 8568 (2008)
An experimental and density functional theory study of the decomposition reaction of NSCl with water molecule(s) into NH3 and SO2 is described. Experiments involving the decomposition of NSCl in the presence of trace amounts of water
Thiazyl chloride: An experimental and theoretical study of the valence shell HeI photoelectron spectrum
Duflot,Chabert,Flament,Robbe,Walker,Cameron,Giuliani,Hubin-Franskin,Delwiche
, p. 95 - 104 (2003)
High level (CASSCF-MRCI) ab initio calculations are used to investigate the structural, electronic and vibrational properties of the electronic ground state of thiazyl chloride (NSCl) and of the low-lying electronic states of NSCl+. A new high resolution HeI photoelectron spectrum of NSCl has been recorded in the 10-16 eV energy region. From the results of the calculations, the first band is assigned to the (1)2A′ state of NSCl+. The second one corresponds to the (2)2A′ and (1)2A″ states which are quasi-degenerate. Despite the high resolution, the two first bands show no vibrational fine structure. For the first one, Franck-Condon analysis shows that it is due to the overlapping of two vibrational progressions involving the S-Cl stretching and the NSCl bending modes. In the case of the second band, it is explained by the highly repulsive character of the potential energy surfaces of two states of NSCl+ in the Franck-Condon region of the neutral molecule. For the third band, which shows vibrational peaks, the calculation of Franck-Condon factors permits the determination of the adiabatic ionisation energy of the (3)2A′ electronic state of NSCl+ at 13.798 eV. Finally, the fourth band, which is due to three different ionic states with vibrational progressions, is too complicated to be assigned quantitatively.
The in situ Generation of Thiazyl Trichloride: A Synthon for C-N-S Heterocycles
Apblett, Allen,Chivers, Tristram
, p. 1889 - 1890 (2007/10/02)
The novel reagent NSCl3 is readily generated by treatment of (NSCl)3 with an excess of SO2Cl2; the reactions of NSCl3 with methacrylonitrile or thioacetamide produce 4-cyanoisothiazole or 5-methyl-1,3,2,4-dithiazolium chloride, respectively, in good yields.
