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Number of results

Journal

2006 | 4 | 4 | 732-742

Article title

Hydrogen-bonded assembly and binding affinity of the multi-point acceptor and isophthalic acid

Content

Title variants

Languages of publication

EN

Abstracts

EN
Supermolecular complexes formed by oligophenyleneethynylene derivatives and isophthalic acid were studied using AM1 method to obtain binding energy. Electronic spectra and IR spectra of the complexes were calculated by INDO/CIS and AM1 methods based on AM1 geometries. Results indicated that the dimer could be formed by the monomers via hydrogen bonding because of the negative binding energy. Binding energy of the complexes was affected by electronegativity and steric effects of the substituents. The first UV absorptions and IR frequencies of N-H bonds of the complexes were both red-shifted compared with those of the monomers. The complexes could bind small molecules via hydrogen bonds, resulting in the change in UV absorptions and an increase in IR frequencies of N-H bonds.

Publisher

Journal

Year

Volume

4

Issue

4

Pages

732-742

Physical description

Dates

published
1 - 12 - 2006
online
1 - 12 - 2006

Contributors

author
  • Department of Chemistry, Zhejiang University, Hangzhou, 310027, People’s Republic of China
  • Institute of Fine Chemicals, East China University of Science and Technology, Shanghai, 200237, People’s Republic of China
author
  • Department of Chemistry, Zhejiang University, Hangzhou, 310027, People’s Republic of China
author
  • Department of Chemistry, Zhejiang University, Hangzhou, 310027, People’s Republic of China
author
  • Department of Chemistry, Zhejiang University, Hangzhou, 310027, People’s Republic of China

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Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.-psjd-doi-10_2478_s11532-006-0038-9
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