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2006 | 4 | 4 | 732-742
Tytuł artykułu

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

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
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.
Wydawca
Czasopismo
Rocznik
Tom
4
Numer
4
Strony
732-742
Opis fizyczny
Daty
wydano
2006-12-01
online
2006-12-01
Twórcy
autor
  • 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
autor
  • Department of Chemistry, Zhejiang University, Hangzhou, 310027, People’s Republic of China , wushi@zju.edu.cn
  • Department of Chemistry, Zhejiang University, Hangzhou, 310027, People’s Republic of China
autor
  • Department of Chemistry, Zhejiang University, Hangzhou, 310027, People’s Republic of China
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11532-006-0038-9
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