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contributor authorمسعود میرزائی شهرابیen
contributor authorحسین اشتیاق حسینیen
contributor authorمریم بازرگانen
contributor authorمینا شهبازیen
contributor authorفرزانه مهرزادen
contributor authorJoel T. Magueen
contributor authorAntonio Bauzáen
contributor authorAntonio Fronteraen
contributor authorMasoud Mirzaei Shahrabifa
contributor authorHossein Eshtiagh Hosseinifa
contributor authormaryam bazarganfa
contributor authormina shahbazifa
contributor authorfarzaneh mehrzadfa
date accessioned2020-06-06T13:25:26Z
date available2020-06-06T13:25:26Z
date issued2015
identifier urihttps://libsearch.um.ac.ir:443/fum/handle/fum/3354255?locale-attribute=fa&show=full
description abstractAs part of ongoing studies of the effects of O-donor ligands based on pyridine-2,6-dicarboxylic acid N-oxide on the geometry, topology and dimensionality of their metal complexes, the salt (H9a-acr)2(pydco)·2H2O (1) and two new coordination complexes with formulas, {(H9a-acr)2[Cu(pydco)2(H2O)2]·4H2O} (2), and {(H9a-acr)2[Ni(pydco)2(H2O)2]·4H2O} (3) (where H2pydco = pyridine-2,6-dicarboxylic acid N-oxide and 9a-acr = 9-aminoacridine) have been synthesized by proton transfer from H2pydco to 9a-acr. The structures of 1–3 were characterized by elemental analysis, infrared spectroscopy and X-ray diffraction methods. Thermogravimetric analysis (TGA) was also carried out on compounds 1 and 2. All three compounds have similar crystal packing, features, namely alternating 2D cationic and anionic layers which are held together by an extensive network of hydrogen bonds and π-stacking interactions to create three-dimensional supramolecular architectures. Despite the different conditions of temperature and stoichiometric ratio in the synthesis of complexes 2 and 3, the products are isostructural and Cu2+ and Ni2+ have distorted octahedral geometry with two (pydco)2− ions coordinated as chelating bidentate ligands. In all three compounds, protonated 9-aminoacridiunium cations are arranged in an anti-parallel stacking mode. This behavior is described and analyzed via density functional theory (DFT) calculations, molecular electrostatic potential (MEP) tools and the NCI method.en
languageEnglish
titleTwo new copper and nickel complexes of pyridine-2,6-dicarboxylic acid N-oxide and their proton transferred salt: Solid state and DFT insightsen
typeJournal Paper
contenttypeExternal Fulltext
subject keywordsPyridine-2en
subject keywords6-dicarboxylic acid N-oxideBinding energiesProton transferSolid stateDFTCrystal engineeringen
journal titleInorganica Chimica Actafa
pages135-145
journal volume438
journal issue0
identifier linkhttps://profdoc.um.ac.ir/paper-abstract-1049316.html
identifier articleid1049316


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