Abstract
In this work, we have studied the initial reaction step after photoexcitation of protonated N-nitrosopiperidine both in the gas and condensed phases. To achieve this end, we have applied the CASPT2 and MP2 wave function methods and the density functional theory approach. It is found that the site of protonation of N-nitrosopiperidine in acid medium depends on the solvent: protonation occurs at the oxygen atom in protic solvents, while in aprotic solvents, the proton is bonded at the N-atom of the amine moiety. Furthermore, protonation at such an N-atom is the unique protonated species that absorbs in the visible range and directly dissociates into aminium radical cation and 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.
