Paper Title:
Quantum Chemical Study on Structure Properties of Pyridine Ionic Liquids of Different Chain Lengths Substituent Group
  Abstract

By using density functional theory (DFT) at B3LYP/6-31G* levels, the pyridine ionic liquid with different substituent length have been studied. The calculated results showed that the ionic liquid formed by pyridine and a chlorine ion has two main configurations (COH-PyCl and COH-PyPCl). There are three combinative locations in each configuration of anion and cation. When the anion is located in the same location, as the alkyl 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 alkyl length becomes weaker.

  Info
Periodical
Advanced Materials Research (Volumes 113-116)
Edited by
Zhenyu Du and X.B Sun
Pages
1968-1971
DOI
10.4028/www.scientific.net/AMR.113-116.1968
Citation
L. Long, D. Q. Chu, L. M. Wang, "Quantum Chemical Study on Structure Properties of Pyridine Ionic Liquids of Different Chain Lengths Substituent Group", Advanced Materials Research, Vols. 113-116, pp. 1968-1971, 2010
Online since
June 2010
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Price
$35.00
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