Models for Bridged Mixed - Valence Systems
{'Code': '03090004', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'James E. Boggs', 'PO_EMAI': None, 'PO_PHON': None}
In this project in the Theoretical and Computational Physical                   Chemistry Program of the Chemistry Division, Prof. Ondrechen                    will test models for bridged-valence dimers of ruthenium and                    back-bonded complexes of transition metal systems.                                                                                                              The near-coincidence of infrared and Raman frequencies in the                   Creutz-Taube ion is treated with inclusion of electron-electron                 repulsion and hybrid terms.  The model will be extended to                      polymeric one-dimensional chains and two-dimensional nets, and                  tested to see if the hybrid terms give rise to a novel purely                   electronic mechanism for superconductivity.  A model for                        systems with dimeric bridges will be used to study complexes                    with both pi-bonding and back-bonding interactions between the                  metal ion and a conjugated bridging ligand.
{'FirstName': 'Mary Jo', 'LastName': 'Ondrechen', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Mary Jo Ondrechen', 'EmailAddress': 'mjo@neu.edu', 'NSF_ID': '000457790', 'StartDate': '01/01/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
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{'Code': '1954', 'Text': 'QUANTUM CALCULATIONS'}
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