Remco Havenith

Peculiar bonding arrangements: Valence bond theory and ring current analyses

Remco W.A. Havenith
Stratingh Institute for Chemistry, Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen and Ghent Quantum Chemistry Group, Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281 (S3), B-9000 Gent, Belgium

Chemical bonding is a central concept in chemistry, but bonding is not always clear-cut. In this presentation, molecules will be shown that exhibit peculiar bonding patterns. One molecule is carbonsuboxide, which was suggested to be a carbone, with dative bonding from the CO ligand to the central carbon atom, the other molecule is the Ti(P₅)₂^2- complex, which shows pancake bonding. The bonding in cabonsuboxide has been studied using valence bond theory, and the results show that it indeed exhibits different bonding characteristics. The delocalised nature of the electrons in the Ti(P₅)₂^2- complex has been studied using a ring current analysis, to deduce the oxidation state of the Ti atom. Here we show that this complex can be considered as a Ti(IV) ion encapsulated in a (P₅)₂^6- cage.