Paper Title:
Study on Structure Properties of Pyridine Ionic Liquids of Different Acid-Based Chain Lengths
  Abstract

By density functional theory (DFT) at B3LYP/6-311+G** levels, the pyridine ionic liquid with different substituent length has been studied. The calculated results show that the ionic liquid formed by pyridine and a chlorine ion has two main configurations (CCOOH-PyCl and CCOOHPyPCl). There are three combinative locations in each configuration of anion and cation. When the anion is located in the same location, as the acid length becomes longer, the hydrogen bond length between chlorine ion and hydrogen atom in pyridine ring becomes longer, the binding energy between chlorine ion and pyridine with different acid length becomes stronger.

  Info
Periodical
Edited by
Tianbiao Zhang and Jerry Tian
Pages
51-55
DOI
10.4028/www.scientific.net/AMR.298.51
Citation
L. M. Wang, D. Q. Chu, "Study on Structure Properties of Pyridine Ionic Liquids of Different Acid-Based Chain Lengths", Advanced Materials Research, Vol. 298, pp. 51-55, 2011
Online since
July 2011
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$32.00
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