57670-85-6Relevant articles and documents
E2(CN)2 (E = S, Se) and related compounds
Burchell, Colin J.,Kilian, Petr,Slawin, Alexandra M. Z.,Woollins, J. Derek,Tersago, Karla,Van Alsenoy, Christian,Blockhuys, Frank
, p. 710 - 716 (2006)
A synthetic, spectroscopic, and theoretical study of Ex(CN) 2 (E = S, Se; x = 1-3) is described. The X-ray structures of Se 2(CN)2 and Se3(CN)2 have been determined. Se2(CN)2 crystallizes in a chiral space group with the CN groups approximately gauche.
Gas-phase generation and electronic structure investigation of chlorosulfanyl thiocyanate, ClSSCN
Yao, Li,Ge, Maofa,Wang, Weigang,Zeng, Xiaoqing,Sun, Zheng,Wang, Dianxun
, p. 5971 - 5975 (2008/10/09)
The chlorosulfanyl thiocyanate molecule, ClSSCN, was generated in the gas phase through heterogeneous reaction of SCl2 on the surface of finely powdered AgSCN for the first time. The reaction products were detected and characterized in situ by ultraviolet photoelectron and photoionization mass spectrometry. The molecular geometry and electronic structures of ClSSCN were investigated by a combination of PES experiment and theoretical calculations with the density functional theory and ab initio methods. It was found that the outermost electrons of ClSSCN reside in the Cl-S antibonding π orbital, predominantly localized on the sulfur atom, and the experimental first vertical ionization potential of ClSSCN is 10.20 eV. The dominant fragment SSCN + in the mass spectrum indicates that the ClSSCN cation prefers the dissociation of the Cl-S bond.
