Abstract
DFT calculations were performed to understand the regioselectivity and chemodivergence in the nickel-catalyzed three-component coupling of aldehyde, alkyne, and dialkylsilane/trialkylsilane to synthesize silylated allylic alcohols and silacyclopentenes. The calculated results proposed a new mechanism for the formation of silacyclopentenes, rationalized the observed regioselectivity and chemodivergence, and identified the both the regioselectivity-determining step and the rate-determining step.
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.
