Abstract
The equilibrium structure of Ru(CO)5 in benzene has been investigated using FTIR spectroscopy and DFT calculations. It was determined that 68% of the Ru(CO)5 molecules form a weak complex with a single benzene molecule under ambient conditions. At ambient temperature a Gibbs free energy of −1.92kJ/mol and an equilibrium constant of 2.16 was determined for the complexation reaction. The DFT calculations predict that the complex formation occurs via electron donation from the complexing benzene to the carbonyl ligands in Ru(CO)5 at an optimum distance of ∼500pm from the metal center to the benzene plane.
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.
