Synthesis and Spectroscopy of New Biradicals and Related    Structures
{'Code': '03090003', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'Wendy L. Richard', 'PO_EMAI': None, 'PO_PHON': None}
This grant in the Organic and Macromolecular Chemistry Program                  will support Dr. Dennis Dougherty's research into the properties                of a group of organic chemical fragments known as biradicals.                   Biradicals can be thought of as molecules that contain a broken                 carbon-carbon bond.  As such, they are excellent models for the                 transition states of reactions that involve bond-making and/or                  bond-breaking.  In addition, their unusual electronic structures                often lead to novel optical and magnetic properties.  Biradicals                also occur as intermediates in chemical reactions.  Thus, their                 chemistry is an important part in developing an understanding of                chemical structures and reactivity.                                                                                                                             The major tools of this study will be organic synthesis, matrix                 isolation spectroscopy and theoretical modeling.  Fundamentally                 new structural types will be synthesized, often requiring the                   development of new synthesis methodologies.  EPR, IR, and UV/VIS                spectroscopies will be used to investigate the electronic                       structures of biradicals.  Such spectroscopy will also allow the                evaluation of the intrinsic reactivity patterns of biradicals by                direct observation.  A variety of theoretical tools will be used                to guide and interpret the experimental studies.  Specific                      targets include:  a series of substituted cyclobutanediyls that                 will provide the first systematic study of the effects of                       substituents on the spectroscopy and reactivity of localized 1,3-               biradicals; a new design for very high spin organic structures;                 the non-Kekule isomers of benzene and naphthalene and perturbed                 derivatives; and a new precursor of tetrahedrane.
{'FirstName': 'Dennis', 'LastName': 'Dougherty', 'PI_MID_INIT': 'A', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Dennis A Dougherty', 'EmailAddress': 'dad@igor.caltech.edu', 'NSF_ID': '000208456', 'StartDate': '04/15/1987', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'California Institute of Technology', 'CityName': 'PASADENA', 'ZipCode': '911250001', 'PhoneNumber': '6263956219', 'StreetAddress': '1200 E CALIFORNIA BLVD', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'California', 'StateCode': 'CA', 'CONGRESSDISTRICT': '28', 'CONGRESS_DISTRICT_ORG': 'CA28', 'ORG_UEI_NUM': 'U2JMKHNS5TG4', 'ORG_LGL_BUS_NAME': 'CALIFORNIA INSTITUTE OF TECHNOLOGY', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1942', 'Text': 'UNIMOLECULAR PROCESSES'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1987&All=true', 'xml': '8701008.xml'}