CrystEngComm, ( ISI ), Volume (16), No (24), Year (2014-5) , Pages (5352-5363)

Title : ( Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions )

Authors: Masoud Mirzaei Shahrabi , Hossein Eshtiagh Hosseini , zahra karrabi , Krešimir Molčanov , ehsan eidi , Joel T. Mague , Antonio Bauzá , Antonio Frontera ,

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Five new proton transfer compounds, (Hapy)[Cr(pydc)2]·5H2O·[pydcH2] (1), (Hacr)[Cr(pydc)2]·2H2O (2), (H9a-acr)[Cr(pydc)2]·4.27H2O (3), [Co(pydc)(pydcH2)]·3H2O (4) and [Ni(pydcH)2]·H3O·2H2O (5) (where pydcH2 = pyridine-2,6-dicarboxylic acid; apy = 2-aminopyridine; acr = acridine and 9a-acr = 9-aminoacridine) have been synthesized and characterized by elemental analysis, IR spectroscopy and single crystal X-ray diffraction techniques. Crystallographic analysis revealed that compounds 1–5 have distorted octahedral geometries with pydc2− and pydcH− ions or pydcH2 coordinated as tridentate ligands to each metal ion through one oxygen atom of each carboxylate group and the nitrogen atom of the pyridine ring. Compounds 1–3 consist of cationic complexes where the dipicolinic acid is coordinated to the metal ion in the dianionic form, whereas 4 and 5 are neutral complexes. In 4, the acid is coordinated to the metal ion in the neutral form, which is quite rare. In the crystal structures of the different complexes, extensive O–HO, N–HO and C–HO hydrogen bonds, as well as other noncovalent interactions involving aromatic rings (C–Hπ, C–Oπ and ππ stacking), were described and analysed by means of density functional theory (DFT) calculations since they play an important role in the construction of three-dimensional supramolecular frameworks.

Keywords

Crystal engineering; coordination compounds; dipicolinic acid; noncovalent
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@article{paperid:1041320,
author = {Mirzaei Shahrabi, Masoud and Eshtiagh Hosseini, Hossein and Karrabi, Zahra and Krešimir Molčanov and Eidi, Ehsan and Joel T. Mague and Antonio Bauzá and Antonio Frontera},
title = {Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions},
journal = {CrystEngComm},
year = {2014},
volume = {16},
number = {24},
month = {May},
issn = {1466-8033},
pages = {5352--5363},
numpages = {11},
keywords = {Crystal engineering; coordination compounds; dipicolinic acid; noncovalent interactions},
}

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%0 Journal Article
%T Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions
%A Mirzaei Shahrabi, Masoud
%A Eshtiagh Hosseini, Hossein
%A Karrabi, Zahra
%A Krešimir Molčanov
%A Eidi, Ehsan
%A Joel T. Mague
%A Antonio Bauzá
%A Antonio Frontera
%J CrystEngComm
%@ 1466-8033
%D 2014

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