Objective The topological analysis of the Electron Localization Function in conjunction with the Catastrophe Theory is proposed to study a nature of the chemical bonds in clusters of transition metal atoms and breaking/forming of inter-atomic bonds in a number of chemical processes: the perycyclic reactions: the aliphatic and aromatic Claisen rearrangements, the pseudopericyclic reactions: electrocyclization of heptatetraene and its heterosubstituted analogues and rearrangement of the quadricyclane radical cation. In the case of reactions where the chemical bonds contain transition-metal atoms two processes are proposed: a dimerization of the MoP bond and oxygen transfer from the diperoxo complex of molybdenum to ethylene. Studies on a nature of the chemical bonds will be carried out for the FenO, FenN and FenC clusters and iron monoxide clusters FenO and FenO- (n= 2-6). In the case of an adsorption of the HOX (X=F, Cl, Br, I) molecules on surface of ice a topological analysis of the Electron Localization Function will be used to elucidate and compare properties of the oxygen - halogen bond during processes of adsorption. Fields of science natural scienceschemical sciencesinorganic chemistrytransition metalsnatural sciencesmathematicspure mathematicstopologynatural scienceschemical sciencesinorganic chemistryhalogensnatural sciencesmathematicspure mathematicsgeometrynatural scienceschemical sciencesorganic chemistryaliphatic compounds Keywords bonding catastrophe theory chemical bond electron localization function electron pairing hydrogen bonding metal - metal bonding perycyclic pseudoperycyclic topology Programme(s) FP6-MOBILITY - Human resources and Mobility in the specific programme for research, technological development and demonstration "Structuring the European Research Area" under the Sixth Framework Programme 2002-2006 Topic(s) MOBILITY-4.1 - Marie Curie European Reintegration Grants (ERG) Call for proposal FP6-2002-MOBILITY-11 See other projects for this call Funding Scheme ERG - Marie Curie actions-European Re-integration Grants Coordinator UNIVERSITY OF WROCLAW Address Pl. uniwersytecki 1 Wroclaw Poland See on map Links Website Opens in new window EU contribution € 0,00
