Abstract
Through-ligand electronic coupling in the [(NH 3) 5Ru III—1,4-dicyanobenzene—Ru II(NH 3) 5] 5+ complex is calculated depending on the donor or acceptor grafted on the benzene. The coupling strength is first discussed, showing that through-dicyanobutadiene is larger than through-1,4-dicyanobenzene coupling. With this ligand, the largest electronic coupling is reached with a full 4NO 2 substitution on the benzene. Coupling through an asymmetric 2NO 22NH 2-substituted benzene is one order of magnitude lower. This large difference is interpreted using the number and position of the active ligand molecular orbitals relative to the d-ruthenium orbital.
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.
