Energetic and Dynamical Aspects of Proton Transfer Reactions in Solution.

Abstract

Several energetic and dynamical aspects of proton transfers are treated. The effect of intrinsic barrier asymmetry on BEBO calculated Bronsted plots is investigated, and contributions to work terms are also considered. The dynamics of transfer of a light particle between two heavier ones is discussed for a particular potential energy surface, making use of classical trajectories, semiclassical concepts, and a previous quantum study. The question of nonequilibrium polarization of solvent is also considered.

Document Details

Document Type
Technical Report
Publication Date
Aug 01, 1975
Accession Number
ADA014097

Entities

People

  • Rudolph A. Marcus

Organizations

  • University of Illinois Urbana–Champaign

Tags

DTIC Thesaurus Topics

  • Asymmetry
  • Dynamics
  • Energy
  • Energy Transfer
  • Particles
  • Polarization
  • Potential Energy
  • Trajectories

Fields of Study

  • Physics

Readers

  • Electrochemical Engineering/ Fuel Cell Technologies
  • Molecular Photonics/Laser Physics
  • Theoretical Analysis.

Technology Areas

  • Quantum Computing