Abstract
The spaceship on the cover picture depicts a pincer complex browsing a vast space of different functionalization groups. The spaceship carries the reactive manganese site, whose properties can be tuned by changing the functional groups on the specific “docking sites” of the carrier ligand. Herein we present an automated high-throughput computational study of how ligand functionalization affects the reactivity and catalytic behaviour of metal-ligand cooperative Mn(I) pincer complexes. The study included DFT and DFTB calculations to analyze the stability of different adducts relevant to (de)hydrogenation catalytic chemistry (https://doi.org/10.1002/zaac.202100078).
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 callMore From: Zeitschrift für anorganische und allgemeine Chemie
Disclaimer: 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.
