Hydride Transfer and Rates of Transport Across Synthetic    Membranes
{'Code': '03090003', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'Benjamin F. Plummer', 'PO_EMAI': None, 'PO_PHON': None}
This project by Dr. Maurice Kreevoy within the Organic Dynamics                 Program is aimed at a better understanding of an important                      organic reaction known as hydride transfer.  The problem will                   be approached theoretically by calculation of the detailed                      reaction pathway, and also experimentally by the measurement of                 reaction rates.  This work is quite significant in that the                     reaction to be studied is a prototype for enzyme catalyzed                      oxidation-reduction reactions.                                                                                                                                  With the aid of the Truhlar POLYRATE program, a                                 multi-dimensional potential surface will be generated for the                   hydride transfer reaction.  Using variational transition state                  theory with least-action tunneling, it will be used to mimic                    the experimentally observed relationship between rate and                       equilibrium constants, the magnitude of primary and secondary                   hydrogen isotope effects, and the relation between primary                      isotope effects and equilibrium constants. In the second part                   of this project, the solvent dependence of the rate constant,                   primary kinetic isotope effect, and equilibrium constant of the                 model hydride transfer reaction between 1-benzyl-3-cyano-                       quinolinium ion and 10-methyl-9,10-dihydroacridine will be                      studied.  The object of this investigation is as follows: to                    establish and test a model for the reaction that will                           facilitate the identification of dynamic solvent effects on                     reactivity; to determine a parameter proportional to such                       effects; and to compare it with current theory and other                        experimental measures of dynamic solvent effects.  Dynamic                      solvent effects are those that are not accounted for in                         conventional, quasi-equilibrium, transition state theory.
{'FirstName': 'Maurice', 'LastName': 'Kreevoy', 'PI_MID_INIT': 'M', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Maurice M Kreevoy', 'EmailAddress': None, 'NSF_ID': '000434448', 'StartDate': '05/01/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Minnesota-Twin Cities', 'CityName': 'MINNEAPOLIS', 'ZipCode': '554552009', 'PhoneNumber': '6126245599', 'StreetAddress': '200 OAK ST SE', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Minnesota', 'StateCode': 'MN', 'CONGRESSDISTRICT': '05', 'CONGRESS_DISTRICT_ORG': 'MN05', 'ORG_UEI_NUM': 'KABJZBBJ4B54', 'ORG_LGL_BUS_NAME': 'REGENTS OF THE UNIVERSITY OF MINNESOTA', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1944', 'Text': 'BIMOLECULAR PROCESSES'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1989&All=true', 'xml': '8900103.xml'}