• Title/Summary/Keyword: Cooperative hydrogen bond

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Template Synthesis, Crystal Structure, and Magnetic Properties of a Dinuclear Copper(II) Complex with Cooperative Hydrogen Bonding

  • Kang, Shin-Geol;Nam, Kwang-Hee;Min, Kil-Sik;Lee, Uk
    • Bulletin of the Korean Chemical Society
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    • v.32 no.3
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    • pp.1037-1040
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    • 2011
  • The dinuclear complex 1 with cooperative hydrogen bonds can be prepared by the metal-directed reaction of Eq. (2). This work shows that the coordinated hydroxyl group trans to the secondary amino group is deprotonated more readily than that trans to the tertiary amino group and acts as the hydrogen-bond accepter. The lattice water molecules in 1 act as bridges between the two mononuclear units through hydrogen bonds. The complex is quite stable as the dimeric form even in various polar solvents. The complex exhibits a weak antiferromagnetic interaction between the metal ions in spite of relatively long Cu$\cdots$Cu distance. This strongly supports the suggestion that the antiferromagnetic behavior is closely related to the cooperative hydrogen bonds.

Theoretical Studies of Hydrogen Bond Interactions in 4-Substituted Benzoic Acids Dimers (4-치환된 벤조산 2합체에서의 수소 결합 상호작용에 대한 이론적 연구)

  • Beni, Alireza Salimi;Chermahini, Alireza Najafi;Sharghi, Hashem
    • Journal of the Korean Chemical Society
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    • v.55 no.3
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    • pp.392-399
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    • 2011
  • Two conformations of benzoic acid derivatives ($NH_2$, OH, H, F, Cl, CN, NO, $NO_2$) have been investigated at MP2, DFT and HF level using the 6-311++G(d,p) basis set. It was found that the cis isomers are more stable. Hydrogen bonding formation of benzoic acids has been estimated from stabilization energies. The calculated hydrogen-bonding energies of dimers showed a cooperative interaction in the cyclic ones. It was found that an electron-releasing group (ERG) into the phenyl rings resulted in the formation of more stable hydrogen bonding. Red shift of O-H bond was found from -565.3 to -589.3 for dimers. The natural bond orbital (NBO) analysis was applied to characterize nature of the interaction.

Hydrogen Bond Effect on Chain Behavior at the Semidilute Regime of Poly(vinyl alcohol) Aqueous Solution (폴리(비닐 알코올) 수용액의 준희박농도 영역에서 사슬 거동에 대한 수소결합의 효과)

  • Park Il-Hyun;Yu Young-Chol;Park Ki-Sang;Lee Dong-Il;Lyoo Won-Seok
    • Polymer(Korea)
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    • v.30 no.3
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    • pp.271-278
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    • 2006
  • In order to investigate the structure and dynamics of atatic poly (vinyl alcohol) (PVA)/water system, laser light scattering experiment has been done in the semi-dilute concentration regime at $25^{\circ}C$. The scattering intensity I(q) can be analyzed with the fractal equation of $I(q){\sim}q^{-m}$ instead of Onstein-Zernike type equation. The fractal dimensionality m was found to be constant after reaching the plateau value of $m=2.6{\pm}0.3$ above C=3wt%. The time correlation function of dynamic light scattering has always two different modes such as fast mode and slow one. The cooperative diffusion of fast mode showed concentration independence contrary 4o the reptation theory's concentration dependent exponent of 3/4. The slow mode can be interpreted as the motion of large scale heterogeneities and its strong concentration dependence is apparent with a large negative exponent of -3.0. It is considered that the stereo-regular arrangement with four successive meso units of -OH plays as a key role in forming such heterogeneity.