The vibrational spectra of thioketene and deuterothioketenes

作者: Manuel Torres , Imre Safarik , Allan Clement , Ratnakar K. Gosavi , Otto P. Strausz

DOI: 10.1139/V84-471

关键词: Analytical chemistryAb initioMoleculeChemistryHeliumThioketeneArgonDeuteriumThermal decompositionComputational chemistryMatrix isolation

摘要: Experimental Results and discussion An Air-Products Chemical Inc. Model CS-202 Displex closedFlow thermolysis of 1,2,3-thiadiazole 2 at 450-520°C recycle helium refrigeration system coupled to a high vacuum line was sulted in the formation 1 nitrogen. Small amounts MANUEL TORRES, IMRE SAFARIK, ALLEN CLEMENT, RATNAKAR K. GOSAVI, OTTO P. STRAUSZ. Can. J. Chem. 62, 2777 (1984). The FTIR spectra low temperature argon matrix isolated thioketene-do, thioketene-d,, thioketene-d, molecules from flow corresponding 1,2,3-thiadiazoles have been recorded analyzed. Assignment normal frequencies has made by coordinate analysis. Alternatively, vibrational were computed ab initio MO calculations predicted values compared experimentally observed ones.

参考文章(1)
H.W. Kroto, D. McNaughton, Fourier transform infrared spectrum of thioketene, CH2CS Journal of Molecular Spectroscopy. ,vol. 114, pp. 473- 482 ,(1985) , 10.1016/0022-2852(85)90239-5