Abstract
A series of potential metathesis catalyst based on Hoveyda-Grubbs ruthenium system with the N-heterocyclic carbene replaced by N-heterocyclic carbene boryl anion were investigated using the M06 density functional approach. We show that these hypothetical metathesis precatalysts have two stable conformations depending on the position of the benzylidene moiety with respect to the NHC part of the complex. Estimates of the free Gibbs energy of initiation for these systems predict that they can be one of the fastest initiating metathesis catalysts, on the level of 3rd generation Grubbs complexes.
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.
