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

Research output: Contribution to journal › Article › peer-review

17 Scopus citations

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
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry

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10.1021/jp003596l

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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.",

author = "Rakesh Karmacharya and Dimitri Antoniou and Schwartz, \{Steven D.\}",

year = "2001",

month = mar,

day = "29",

doi = "10.1021/jp003596l",

language = "English (US)",

volume = "105",

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journal = "Journal of Physical Chemistry A",

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publisher = "American Chemical Society",

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T1 - Nonequilibrium solvation and the quantum kramers problem

T2 - Proton transfer in aqueous glycine

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.

UR - https://www.scopus.com/pages/publications/0035967362

UR - https://www.scopus.com/pages/publications/0035967362#tab=citedBy

U2 - 10.1021/jp003596l

DO - 10.1021/jp003596l

M3 - Article

AN - SCOPUS:0035967362

SN - 1089-5639

VL - 105

SP - 2563

EP - 2567

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 12

ER -

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

Abstract

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