Nonequilibrium solvation and the quantum kramers problem

Proton transfer in aqueous glycine

Rakesh Karmacharya, Dimitri Antoniou, Steven D Schwartz

Research output: Contribution to journalArticle

15 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)2563-2567
Number of pages5
JournalJournal of Physical Chemistry A
Volume105
Issue number12
StatePublished - Mar 29 2001
Externally publishedYes

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Proton transfer
Solvation
glycine
Glycine
solvation
Hamiltonians
protons
amino acids
aqueous solutions
Amino Acids

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Nonequilibrium solvation and the quantum kramers problem : Proton transfer in aqueous glycine. / Karmacharya, Rakesh; Antoniou, Dimitri; Schwartz, Steven D.

In: Journal of Physical Chemistry A, Vol. 105, No. 12, 29.03.2001, p. 2563-2567.

Research output: Contribution to journalArticle

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