Experimental and Theoretical Studies of Biradical Dynamics
{'Code': '03090003', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'Koop Lammertsma', 'PO_EMAI': None, 'PO_PHON': None}
This grant in Organic and Macromolecular Chemistry provides                   support for the research of Dr. Charles Doubleday, Columbia                     University. The work is focused on understanding the behavior                   of species generated during photochemical reactions, an                         understanding of which is essential for solar energy conversion.                  In many organic reactions, discrete, highly energetic,                        intermediate molecules are formed which then are transformed to                 final products. Biradicals are an example of reactive                           intermediates which are highly energetic molecules formed in a                  variety of reactions. The ultimate fate of such reactions, the                  identity of the products and their rates of formation, depends                  on the properties of the biradical intermediates. To understand                 reactions proceeding via biradicals, one must understand the                    properties of the biradicals. Their short lifetimes make this a                 challenging task. Both an experimental and theoretical study of                 biradicals will be carried out. The experiments involve                         nanosecond transient UV absorption in both the gas and                          condensed phase. Measurement of biradical lifetimes in the gas                  phase will supply the biradical dynamics in the absence of                      solvent interactions. Two sets of calculations will be applied                  to biradicals. One will focus on the role of entropy in                         controlling the dynamics of biradicals in the singlet                           electronic spin state. The other will examine singlet-triplet                   crossings by calculating the singlet-triplet energy separations                 and spin-orbit couplings in biradicals and radical pairs.
{'FirstName': 'Charles', 'LastName': 'Doubleday', 'PI_MID_INIT': None, 'PI_SUFX_NAME': 'Jr', 'PI_FULL_NAME': 'Charles Doubleday', 'EmailAddress': 'ced3@columbia.edu', 'NSF_ID': '000409007', 'StartDate': '01/15/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
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{'Code': '1942', 'Text': 'UNIMOLECULAR PROCESSES'}
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