Clusters of Transition Metals and Organic Metal Compounds: A Theoretical Analysis

Exploring the applications and mechanisms of transition metal clusters and organic metal compounds

Abstract

In the discipline of chemistry, group 13 hydrides may be used for a number of activities,including organic synthesis, organometallic catalysis, materials chemistry, and as potential hydrogenstorage materials. These are but a few of the many ways in which they have established themselves as thedominating force in chemistry. This discipline of chemistry is very adaptable because to the broad varietyof coordination numbers and geometric configurations accessible. The examination of organometalliccompounds with a theoretical focus on clusters of transition metals is the fundamental purpose of thisstudy. The synthesis of 2-C60Pt(PPh3)2 organometallic compounds served as a catalyst for theorganometallic chemistry of fullerenes and bowl-shaped hydrocarbons. DFT is used to examine themechanism of the insertion of the heteroallenes XCY (CO2, COS, and CS2) into the metal-metal polarbond of the early-late heterobimetallic (ELHB) complexes, (NH2) 3M-M'(CO)2Cp (where M = Ti, Zr and M' =Fe, Ru).