Abstract
1,2,5-Thiadiazoles 1−5 bearing CN, CONH2, SCH3, and Cl substituents have been investigated under electron impact conditions. Collisional activation (CA) and neutralization−reionization (NR) mass spectrometries have allowed the identification of new nitrile N-sulfides (NCCNS, H2NCNS, H3CSCNS, and ClCNS) as ions or neutrals in the gas phase of a mass spectrometer. These results were supported by chemical ionization experiments of nitriles using carbon disulfide as the reagent gas, flash vacuum pyrolysis experiments, and ab initio molecular orbital calculations at the G2(MP2,SVP) level. The neutral nitrile N-sulfides are found by experiment and theory to be observable species in the gas phase. All the cations are potential energy minima, and their calculated fragmentation energies are in accord with experimental observations.
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.
