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John Bentley
College of the Holy Cross, B.S.
('67)
Carnegie-Mellon University, M.A. ('70) Ph.D.
('75)
Tel. (574) 631-6117
e-mail: bentley.1@nd.edu
Radical Reactions in
Gas Phase and Solution: Theory |
Scientific Interests
Energetics and mechanisms of free radical reactions ― theoretical characterization of reactive processes in radiolysed media.
Electronic attachment processes―
The evolution of transient anionic species in aqueous solution is studied by quantum mechanical molecular dynamics methods.
Recent Accomplishments | Top |
Studies of H2nOn+1– species ― The structures, energetics, and proton transfer reactions in clusters of O- with water have been determined. O- is an important reducing agent in radiolysis of basic aqueous solutions.
Dissociative electron attachment ― Slow (<10 eV) electrons in water can form temporary anions by attaching to molecules they encounter. The fates of such transients (e.g., selenates)
are studied by molecular dynamics methods.
Selected Publications
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D.M. Chipman and J. Bentley
Structures and energetics of hydrated oxygen anion clusters
J. Phys. Chem. A 2005 109, 7418-28 link
J. Bentley
Exclusion surfaces of molecules in argon and helium
J. Chem. Phys. 2003 119, 5449-56 link
G. Albarrán, J. Bentley and R.H. Schuler
Substituent effects in the reaction of OH radicals with aromatics: Toluene
J. Phys. Chem. A 2003 107, 7770-4 link
D.M. Camaioni, M. Dupuis and J. Bentley
Theoretical characterization of oxoanion, XOmn–, solvation
J. Phys. Chem. A 2003 107, 5778-88 link
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