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

研究成果: 雜誌貢獻文章

51 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
110
發行號7
DOIs
出版狀態已發佈 - 2006 二月 23

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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