نتایج جستجو برای: π stacking

تعداد نتایج: 44075  

M. A. Seyed Sadjadi M. Tabatabaee R. Mohammadinasab

A new proton transfer compound, formulated as (Hamp-6-pic)(Hpyzd) ∙H2O (1), has been synthesized from the reaction of pyrazine-2,3-dicarboxylic acid (H2pyzd)  and 2-amino-6-methyl pyridine (amp-6-pic), in 1:1 molar ratio. Extensive O−H×××O, N−H×××N and O−H×××O hydrogen bonds involving (Hamp-6-pic)+ cation, (Hpyzd)- anion and co-crystal water molecule٫ static electronic٫ and π…π stacking interac...

Journal: :Journal of Chemical Information and Modeling 2014

2014
Roland G. Huber Michael A. Margreiter Julian E. Fuchs Susanne von Grafenstein Christofer S. Tautermann Klaus R. Liedl Thomas Fox

In this study we investigate π-stacking interactions of a variety of aromatic heterocycles with benzene using dispersion corrected density functional theory. We calculate extensive potential energy surfaces for parallel-displaced interaction geometries. We find that dispersion contributes significantly to the interaction energy and is complemented by a varying degree of electrostatic interactio...

   Surfaces of synthesis cobalt disulfide has high electron density that could interact with polycyclic aromatic compounds by π-π stacking. Cobalt disulfide was synthesized with the hydrothermal method and characterized by field emission scanning electron microscopy, X-ray diffraction and energy-dispersive X-ray. Using tetracycline as a model analyte, the batch adsorption experiments were c...

Journal: :Acta crystallographica. Section C, Crystal structure communications 2013
Anirban Karmakar Ana E Platero-Prats Lars Öhrström

The structure of 2,3,6,7,10,11-hexahydroxytriphenylene (hhtp) methanol monosolvate, C18H12O6·CH3OH, has triclinic symmetry (space group P-1). The compound has a three-dimensional layered network structure formed by intermolecular hydrogen bonding. Structure analysis with Hirshfeld surfaces is shown to be a sensitive method for comparing π-stacking effects in the five known solvates of hhtp. The...

Journal: :Physical chemistry chemical physics : PCCP 2015
Sumit Kumar Panja Nidhi Dwivedi Hemanth Noothalapati Shinsuke Shigeto A K Sikder Abhijit Saha Sailaja S Sunkari Satyen Saha

The effects of interionic hydrogen bonding and π-π stacking interactions on the physical properties of a new series of picrate anion based ionic liquids (ILs) have been investigated experimentally and theoretically. The existence of aromatic (C2-HO) and aliphatic (C7-HO-N22 and C6-HO-N20) hydrogen bonding and π-π stacking interactions in these ILs has been observed using various spectroscopic t...

Journal: :iranian journal of pharmaceutical research 0
mandana amiri department of chemistry, university of mohaghegh ardabili, ardabil, iran hamideh imanzadeh department of chemistry, payame noor university, ardabil, iran

the adsorption processes of amlodipine onto hydrophilic carbon nanoparticles (emperor 2000tm) are investigated. the significant increase in voltammetric responses for pre-adsorbed amlodipine compared with those for solution confirms high affinity of amlodipine to carbon nanoparticles (possibly due to π-π stacking interaction between aromatic rings of amlodipine and surface-sulfonated carbon nan...

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