Abstract
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 pi 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.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
