ANIONS FUNCTIONS IN TRANSITION METALS COORDINATION COMPOUNDS

Transition metals catalyzed synthesis novel heterocyclic compounds

Based on my research experience and academic career, my research plan is to develop new synthetic reactions to create heterocyclic molecules having useful properties as functional materials or biological activities. Reactions I am going to study on can be classified into the following two categories. Project 1: Transition metal-catalyzed cascade cyclization and oxidative cross couplings reactio...

Photochemistry of Transition Metal Coordination Compounds

Valence-bond theory of compounds of transition metals.

An equation relating the strength (bondforming power) of an spd hybrid bond orbital to the angles it makes with other bond orbitals is formulated and applied in the discussion of the structures of transition-metal carbonyls and other substances by the valence-bond method. The rather simple theory gives results that agree well with those obtained by the complicated and laborious calculation of s...

Basis sets for transition metals: Optimized outer p functions

Although the (n + 1)p orbital is unoccupied in transition-metal ground-state configurations which are all nd(x) (n + 1)s(y) , these (n + 1)p functions play a crucial role in the structure of transition metal complexes. As we show here, the usual solution, adding one or more diffuse functions, can be insufficient to create an orbital of the correct energy. The major problem appears to be due to ...

Superconductivity in transition metals.

A qualitative account of the occurrence and magnitude of superconductivity in the transition metals is presented, with a primary emphasis on elements of the first row. Correlations of the important parameters of the Bardeen-Cooper-Schrieffer theory of superconductivity are highlighted with respect to the number of d-shell electrons per atom of the transition elements. The relation between the s...