Studies of the Transformations of Sulfur Containing Heterocycles by Transition Metal Cluster Compounds. Final Report, June 1, 1995 - October 31, 1999

doi:10.2172/803362

Interactionn of sulfur-containing compounds with transition metal clusters and metal surfaces: Final report, March 1--December 31, 1987

Tyrrell, J. ; Combariza, J. ; Dunkerton, L.V. ; ... March 1988

Molecular orbital calculations on the nickel pentamer cluster were carried out using ab initio methods as well as density functional methods. The molecular orbital cluster approach using effective core potentials (ECP) was used for the ab initio calculations and the Xa statistical approach for the density functional method. The results are strongly dependent on the particular procedure used to obtain the electronic ground state of the cluster. The packing of the molecular orbitals begins to resemble some of the characteristics of the band structure of bulk metals. The spectra for nickel pentamer can be considered as being formed by amore »« less
Ligand transformations and catalysis by transition metal cluster compounds containing sulfur: Progress report, 1987

Adams, R.D. January 1988

This progress report covers: tertiary amine metathesis catalysis by metal carbonyl clusters containing carbene ligands; synthesis and transformations of carbene ligands in cluster complexes; and reactivity of mixed metal cluster compounds toward alkynes.
Ligand transformations and catalysis by transition metal cluster compounds containing sulfur: Progress report, 1986--1988

Adams, R.D. December 1988

We have conducted extensive investigations into the nature of multicenter based ligand transformations in a variety of metal cluster complexes containing sulfido or sulfur-containing ligands. These investigations have resulted in the preparation of several new cluster complexes containing thioformaldehyde ligands and the first cluster complexes to contain thioformyl ligands. We have discovered new routes to cluster complexes containing aminocarbene ligands, and have prepared the first cluster complexes to contain triply bridging aminocarbene ligands and the first cluster complexes containing iminium ligands. We have prepared several new cluster complexes containing ynamine ligands and performed the first structural characterization of such amore »« less
Ligand transformations and catalysis by transition metal cluster compounds containing sulfur: Progress report, 1986

Adams, R.D. February 1987

The following are reported: tertiary amine metathesis catalysis by metal carbonyl clusters containing carbene ligands, studies of the synthesis and transformations of carbene ligands in cluster complexes, transformations of hydrocarbyl ligands bonded to sulfur in polynuclear metal carbonyl complexes, and synthesis of sulfido ruthenium carbonyl complexes containing acetylene ligands and their reactions with small molecules.
Interaction of sulfur-containing compounds with transition metal clusters and metal surfaces: Final report, March 1, 1986-February 28, 1987

Tyrrell, J. ; Combariza, J. ; Dunkerton, L.V. ; ... May 1987

Molecular orbital calculations using effective core potentials (ECP) have been carried out on several nickel clusters. Optimization of internuclear distances and angles between the nickel atoms was carried out. The results are strongly dependent on the initial atomic configuration. Atomic closed shells gave no interactions between nickel atoms. Open shell systems, on the contrary, were shown to be more stable and the singly occupied 4s orbital accounted for the chemical bonding between the nickel atoms. Ground states of maximum multiplicity were obtained by considering that each nickel atom has a singly occupied d-orbital. These singly occupied d-orbitals did not participatemore »« less

Title: Studies of the Transformations of Sulfur Containing Heterocycles by Transition Metal Cluster Compounds. Final Report, June 1, 1995 - October 31, 1999

Abstract

Citation Formats

Interactionn of sulfur-containing compounds with transition metal clusters and metal surfaces: Final report, March 1--December 31, 1987

Ligand transformations and catalysis by transition metal cluster compounds containing sulfur: Progress report, 1987

Ligand transformations and catalysis by transition metal cluster compounds containing sulfur: Progress report, 1986--1988

Ligand transformations and catalysis by transition metal cluster compounds containing sulfur: Progress report, 1986

Interaction of sulfur-containing compounds with transition metal clusters and metal surfaces: Final report, March 1, 1986-February 28, 1987