Reaction Trajectories at Nonstereogenic Atoms
{'Code': '03090003', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'Thomas C. Farrar', 'PO_EMAI': None, 'PO_PHON': None}
This grant in the Organic and Macromolecular Chemistry Program                  supports research by Prof. Peter Beak, University of Illinois,                  aimed at determining the trajectories of atomic motion during                   chemical reactions.  Reaction trajectories may be considered                    among the most fundamental sorts of information to be derived                   about chemical reactivity, and knowledge of the geometrical                     arrangements of atoms in molecules has provided the basis for                   understanding molecular structure and its relationship to                       chemical reactivity.  However, this work is directed                            towards determining geometries of transition structures                         involving nonstereogenic atoms, which heretofore have been                      unavailable.                                                                                                                                                    Dr. Beak and co-workers will investigate the trajectories for                   reactions at nonstereogenic heteroatoms by use of the                           endocyclic restriction test.  In this approach, the geometry of                 the transfer of atom Z will be evaluated by investigations of                   systems in which the bond-forming atom X and the leaving atom Y                 are joined by a chain.  The size of the ring required for a                     concerted endocyclic intramolecular reaction in the transfer of                 Z from Y to X limits the available reaction geometry.  If the                   transfer has geometrical requirements which cannot be met                       intramolecularly, the reaction becomes intermolecular.  These                   possibilities will be distinguished by double labeling, isotope                 effect, and kinetic experiments.  Alternative mechanisms                        involving associative and dissociative steps will also be                       evaluated.  Investigations of the geometries of reactions at                    oxygen, nitrogen, halogen, hydrogen and sulfur will be made.                    Other mechanistic probes, including substituent effects and                     structural rearrangements will be used to provide mechanistic                   information about these and related reactions.
{'FirstName': 'Peter', 'LastName': 'Beak', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Peter Beak', 'EmailAddress': 'beak@c.scs.uiuc.edu', 'PI_PHON': '2173332805', 'NSF_ID': '000153375', 'StartDate': '02/01/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Illinois at Urbana-Champaign', 'CityName': 'URBANA', 'ZipCode': '618013620', 'PhoneNumber': '2173332187', 'StreetAddress': '506 S WRIGHT ST', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Illinois', 'StateCode': 'IL', 'CONGRESSDISTRICT': '13', 'CONGRESS_DISTRICT_ORG': 'IL13', 'ORG_UEI_NUM': 'Y8CWNJRCNN91', 'ORG_LGL_BUS_NAME': 'UNIVERSITY OF ILLINOIS', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1944', 'Text': 'BIMOLECULAR PROCESSES'}
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