Nonequilibrium solvation and the quantum kramers problem: Proton transfer in aqueous glycine

Rakesh Karmacharya; Dimitri Antoniou; Steven D. Schwartz

doi:10.1021/jp003596l

Nonequilibrium solvation and the quantum kramers problem: Proton transfer in aqueous glycine

Rakesh Karmacharya, Dimitri Antoniou, Steven D. Schwartz

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Abstract

We study the intramolecular proton transfer in the amino acid glycine in aqueous solution. We show that this system is an example of nonequilibrium solvation, where the proton-transfer step is fast and the solvent relaxes afterward. We show how the physical picture of equilibrium vs nonequilibrium solvation arises naturally within the framework of the quantized Zwanzig Hamiltonian. κ 2001 American Chemical Society.

Original language	English (US)
Pages (from-to)	2563-2567
Number of pages	5
Journal	Journal of Physical Chemistry A
Volume	105
Issue number	12
DOIs	https://doi.org/10.1021/jp003596l
State	Published - Mar 29 2001

ASJC Scopus subject areas

Physical and Theoretical Chemistry

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title = "Nonequilibrium solvation and the quantum kramers problem: Proton transfer in aqueous glycine",

abstract = "We study the intramolecular proton transfer in the amino acid glycine in aqueous solution. We show that this system is an example of nonequilibrium solvation, where the proton-transfer step is fast and the solvent relaxes afterward. We show how the physical picture of equilibrium vs nonequilibrium solvation arises naturally within the framework of the quantized Zwanzig Hamiltonian. κ 2001 American Chemical Society.",

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AU - Karmacharya, Rakesh

AU - Antoniou, Dimitri

AU - Schwartz, Steven D.

PY - 2001/3/29

Y1 - 2001/3/29

N2 - We study the intramolecular proton transfer in the amino acid glycine in aqueous solution. We show that this system is an example of nonequilibrium solvation, where the proton-transfer step is fast and the solvent relaxes afterward. We show how the physical picture of equilibrium vs nonequilibrium solvation arises naturally within the framework of the quantized Zwanzig Hamiltonian. κ 2001 American Chemical Society.

AB - We study the intramolecular proton transfer in the amino acid glycine in aqueous solution. We show that this system is an example of nonequilibrium solvation, where the proton-transfer step is fast and the solvent relaxes afterward. We show how the physical picture of equilibrium vs nonequilibrium solvation arises naturally within the framework of the quantized Zwanzig Hamiltonian. κ 2001 American Chemical Society.

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SN - 1089-5639

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Nonequilibrium solvation and the quantum kramers problem: Proton transfer in aqueous glycine

Abstract

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