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Escape of anions from geminate recombination in THF due to charge delocalization
Ames Laboratory Accepted Manuscripts
  • Hung-Cheng Chen, Brookhaven National Laboratory
  • Andrew R. Cook, Brookhaven National Laboratory
  • Sadayuki Asaoka, Kyoto Institute of Technology
  • Jeffrey S. Boschen, Iowa State University and Ames Laboratory
  • Theresa L. Windus, Iowa State University
  • John R. Miller, Brookhaven National Laboratory
Publication Date
Ames Laboratory; Chemistry
Report Number
IS-J 9488
Journal Title
Physical Chemistry Chemical Physics

Geminate recombination of 24 radical anions (M˙−) with solvated protons (RH2+) was studied in tetrahydrofuran (THF) with pulse radiolysis. The recombination has two steps: (1) diffusion of M˙− and RH2+ together to form intimate (contact and solvent separated) ion pairs, driven by Coulomb attraction; (2) annihilation of anions due to proton transfer (PT) from RH2+ to M˙−. The non-exponential time-dependence of the geminate diffusion was determined. For all molecules protonated on O or N atoms the subsequent PT step is too fast (

Iowa State University Digital Repository, Ames IA (United States)
Citation Information
Hung-Cheng Chen, Andrew R. Cook, Sadayuki Asaoka, Jeffrey S. Boschen, et al.. "Escape of anions from geminate recombination in THF due to charge delocalization" (2017)
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