Please use this identifier to cite or link to this item: http://nopr.niscair.res.in/handle/123456789/44390
Title: Hydrogen bonded supramolecular architecture of a copper(II)-citrate coordination building block: Synthesis and crystal structure with theoretical insight
Authors: Sarkar, Sougata
Deb, Dibakar
Sarkar, Avijit
Chattopadhyay, Shouvik
Dutta, Bipan
Khanra, Soumen
Keywords: Supramolecular architectures;Density functional calculations;Crystal structure;Hydrogen bonding;π-π interactions;Copper;Citrate
Issue Date: Apr-2018
Publisher: NISCAIR-CSIR, India
Abstract: A tricarboxylate supported binuclear metal organic hybrid of Cu(II), [Cu2(µ-cit)(phen)4]·9H2O (1) has been synthesized using the well known pyridyl based N,N′ linker, 1,10-phenanthroline and structurally characterized. The use of the flexible hydroxyl tricarboxylate citrate, in designing such a framework has created a marked diversity in the topology. The structural and topological diversity has been analyzed from the single crystal X-ray structure. Here, in a unit, each of the two Cu(II) centres is chelated by two phenanthroline ligands and citrate (cit4–) serves the role of a bridging ligand. Furthermore, the carboxylate moiety/hydroxyl oxygen sites of citrate and the aromatic chelating ligands promote supramolecular recognition through hydrogen bonding and other non-covalent interactions (like π-π interaction) and water of crystallization, thereby resulting in a higher dimensional architecture. The oxygen atoms of the carboxylate moiety involve in both inter and intra-molecular hydrogen bonding with the water molecules resulting in a hydrogen bonded helical supramolecular solid. Theoretical study is performed to analyze the structure and the role of non-covalent interactions through DFT based calculations and Hirshfeld surface analysis.
Page(s): 469-476
URI: http://nopr.niscair.res.in/handle/123456789/44390
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.57A(04) [April 2018]

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