Abstract
In the current article we report the ab initio study on the stability of S-Nitrosothiols (MeSNO, 1 ) and their oxidised derivatives (MeS(O)NO, 2 ) and (MeS(O) 2NO, 3 ). The bond length, bond order, rotational barrier and bond dissociation energy have been calculated and compared with that of sulfenamide (HS–NH 2) and its oxidised derivatives sulfinamide (H(O)S–NH 2) and sulfonamide (H(O) 2S–NH 2). The S–N bond dissociation energy in the oxidised state is very small compared to parent RSNO indicating the weakness of sigma bond. NBO analysis suggests that the negative hyperconjugative interactions are very strong in S-nitrosothiols and their oxidised derivatives, which weaken the sigma bond and facilitate the release of nitric oxide.
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.
