Negative-Ion Chemistry
{'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 Physical Chemistry Program, Simons will                  study a novel class of stable closed-shell cation core                          molecules (e.g., hydronium, amonium, HFH+) with two "active"                    electrons orbiting in diffuse Rydberg-like orbitals about this                  core.  These species are believed to display unusual electronic                 structures:  the two outer electrons undergo highly correlated                  motion to reduce mutual coulombic repulsions, and certain of                    their states are likely to be metastable resonance states which                 autoionize because they lie higher in electronic energy than                    underlying neutral-molecule states.  The work involves ab                       initio structure calculations on highly correlated species, the                 treatment of non-adiabatic coupling, of an ejected electron,                    and the development of a new analytical model to interpret and                  predict the energy level patterns observed (computationally and                 experimentally) for these species.                                                                                                                              Because the electron binding energies of these anions are                       likely to be small (i.e., a few tenths of an eV), they may also                 possess states which are electronically bound but which                         autoionize via energy flow from the rotation/vibration degrees                  of freedom of the underlying core to the outer electrons (i.e.,                 which decay through non-adiabatic coupling).  The first member                  of this class of anions is certain to be of interest to                         experimentalists and the study will be carried out in close                     communication with them.
{'FirstName': 'John', 'LastName': 'Simons', 'PI_MID_INIT': 'P', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'John P Simons', 'EmailAddress': 'simons@chemistry.utah.edu', 'NSF_ID': '000276701', 'StartDate': '12/01/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Utah', 'CityName': 'SALT LAKE CITY', 'ZipCode': '841129049', 'PhoneNumber': '8015816903', 'StreetAddress': '201 PRESIDENTS CIR', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Utah', 'StateCode': 'UT', 'CONGRESSDISTRICT': '01', 'CONGRESS_DISTRICT_ORG': 'UT01', 'ORG_UEI_NUM': 'LL8GLEVH6MG3', 'ORG_LGL_BUS_NAME': 'UNIVERSITY OF UTAH', 'ORG_PRNT_UEI_NUM': None}
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[{'Code': '1954', 'Text': 'QUANTUM CALCULATIONS'}, {'Code': '1956', 'Text': 'STATISTICAL AND SIMULATIONS'}]
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1988&All=true', 'xml': '8814765.xml'}