Intra- and intermolecular proton transfer in 1H(2H)-1,2,3-triazole based systems

Zhen Zhou; Rui Liu; Jenghan Wang; Siwen Li; Meilin Liu; Jean Luc Brédas

doi:10.1021/jp057265q

Intra- and intermolecular proton transfer in 1H(2H)-1,2,3-triazole based systems

Zhen Zhou
, Rui Liu
, Jenghan Wang
, Siwen Li
, Meilin Liu^*
, Jean Luc Brédas

^*此作品的通信作者

研究成果: 雜誌貢獻 › 期刊論文 › 同行評審

67 引文斯高帕斯（Scopus）

摘要

Hartree-Fock ab initio and density functional theory calculations suggest that intra- and intermolecular proton transfer between neutral and protonated triazole tautomers play a vital role in the observed dramatic proton conduction in triazole-based polymer electrolyte membranes.

原文	英語
頁（從 - 到）	2322-2324
頁數	3
期刊	Journal of Physical Chemistry A
卷	110
發行號	7
DOIs	https://doi.org/10.1021/jp057265q
出版狀態	已發佈 - 2006 2月 23
對外發佈	是

ASJC Scopus subject areas

物理與理論化學

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10.1021/jp057265q

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@article{4843740a28454552821ffb29dc893e1b,

title = "Intra- and intermolecular proton transfer in 1H(2H)-1,2,3-triazole based systems",

abstract = "Hartree-Fock ab initio and density functional theory calculations suggest that intra- and intermolecular proton transfer between neutral and protonated triazole tautomers play a vital role in the observed dramatic proton conduction in triazole-based polymer electrolyte membranes.",

author = "Zhen Zhou and Rui Liu and Jenghan Wang and Siwen Li and Meilin Liu and Br{\'e}das, \{Jean Luc\}",

year = "2006",

month = feb,

day = "23",

doi = "10.1021/jp057265q",

language = "English",

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publisher = "American Chemical Society",

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TY - JOUR

T1 - Intra- and intermolecular proton transfer in 1H(2H)-1,2,3-triazole based systems

AU - Zhou, Zhen

AU - Liu, Rui

AU - Wang, Jenghan

AU - Li, Siwen

AU - Liu, Meilin

AU - Brédas, Jean Luc

PY - 2006/2/23

Y1 - 2006/2/23

N2 - Hartree-Fock ab initio and density functional theory calculations suggest that intra- and intermolecular proton transfer between neutral and protonated triazole tautomers play a vital role in the observed dramatic proton conduction in triazole-based polymer electrolyte membranes.

AB - Hartree-Fock ab initio and density functional theory calculations suggest that intra- and intermolecular proton transfer between neutral and protonated triazole tautomers play a vital role in the observed dramatic proton conduction in triazole-based polymer electrolyte membranes.

UR - https://www.scopus.com/pages/publications/33644886609

UR - https://www.scopus.com/pages/publications/33644886609#tab=citedBy

U2 - 10.1021/jp057265q

DO - 10.1021/jp057265q

M3 - Article

AN - SCOPUS:33644886609

SN - 1089-5639

VL - 110

SP - 2322

EP - 2324

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 7

ER -

Intra- and intermolecular proton transfer in 1H(2H)-1,2,3-triazole based systems

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ASJC Scopus subject areas

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