Abstract
Sequential pericyclic reactions between pyridine N-oxides and allenes were evaluated in terms of PM3 calculation. Structures corresponding to the perturbating system were calculated by varying the distance of the addends. The cycloaddition occurs via π-complex. In the transition structure TS1 of primary cycloaddition, the lengths of the newly created bonds of O-C and C-C are 1.864 and 2.204 A, respectively. The bond between the O atom of pyridine N-oxide and the central carbon of allene is ca. 35% formed at TS1, slightly advanced than the other (ca. 30%). The PM3 calculation at the UHF level predicts that [1,5]-sigmatropic rearrangement of the primary cycloadduct proceeds via a transition state with a biradical character
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.
