Abstract
Recent theoretical studies on reactions of organotransition metal complexes will be reviewed, in which the structures of transition states as well as reactants and products have been optimized with the ab initio molecular orbital energy gradient method. Those studies have covered the elementary organometallic reactions such as oxidative addition/reductive elimination, olefin insertion/β-hydrogen elimination, carbonyl insertion, thermolysis of ketene complex, isomerization of metallacycle to an alkylidene-olefin complex and methylidene migratory insertion into an M-H bond. In addition, as a combination of a series of elementary organometallic reactions, the potential energy profile of a full catalytic cycle of olefin hydrogenation by the Wilkinson catalyst has been obtained.
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.
