Restricted Research - Award List, Note/Discussion Page
Fiscal Year: 2023
2324 The University of Texas at San Antonio (144212)
Principal Investigator: Schanze, Kirk
Total Amount of Contract, Award, or Gift (Annual before 2011): $ 475,104
Exceeds $250,000 (Is it flagged?): Yes
Start and End Dates: 6/1/23 - 5/31/26
Restricted Research: YES
Academic Discipline: SCIENCES
Department, Center, School, or Institute: Cos Chemistry
Title of Contract, Award, or Gift: CAS: Collaborative Research: Photophysics and Electron Transfer Reactivity of Ion Radical Excited States
Name of Granting or Contracting Agency/Entity:
National Science Foundation - NSF
CFDA: 47.49
Program Title: none
Note:
SAMs 1.1.1; This research project seeks to provide a broad understanding of the factors that control ion radical doublet excited states and their ET reactivity, through a collaborative approach involving experimental photophysics and computational chemistry using density functional theory and time dependent density functional theory (DFT/TDDFT). Stable anion and cation radicals of a variety of molecules will be prepared by chemical reduction or oxidation and their photophysical properties will be characterized by using picosecond transient absorption and fluorescence spectroscopy methods. Key parameters to be determined include the lifetime and energy of the doublet excited state, along with the radiative and non-radiative decay rate constants (krand knr, respectively).Experimental results will be utilized to benchmark DFT/TDDFT calculations aimed at providing insight concerning the energy and orbital basis for the doublet excited states.
Discussion: No discussion notes