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<p>Hydrogen bonded supramolecular architecture of a copper(II)-citrate coordination building block: Synthesis and crystal structure with theoretical insight</p>

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Title Statement <p>Hydrogen bonded supramolecular architecture of a copper(II)-citrate coordination building block: Synthesis and crystal structure with theoretical insight</p>
 
Added Entry - Uncontrolled Name SARKAR, SOUGATA ; RAMAKRISHNA MISSION VIVEKANANDA CENTENARY COLLEGE, RAHARA
DEB, DIBAKAR
SARKAR, AVIJIT
CHATTOPADHYAY, SHOUVIK
DUTTA, BIPAN
KHANRA, SOUMEN
 
Uncontrolled Index Term Synthetic and structural inorganic chemistry
Supramolecular architectures, Density functional calculations, Crystal structure, Hydrogen bonding, π-π interactions, Copper, Citrate
 
Summary, etc. A tricarboxylate supported binuclear metal organic hybrids of Cu(II), [Cu<sub>2</sub>(<em>µ</em>-cit)(phen)<sub>4</sub>]·9H<sub>2</sub>O (<strong>1</strong>) has been synthesized using well known pyridyl based <em>N</em>,<em>N</em>′ linker, 1,10-phenanthroline and has been structurally characterized. The use of the flexible hydroxyl tricarboxylate, citrate, in designing such 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 an unit, each of the two Cu(II) centres are chelated by two phenanthrolineligands and citrate (cit<sup>4-</sup>) serves the role of a bridging ligand. Furthermore, the carboxylate moiety/hydroxyl oxygen sites of citrate and the aromatic chelating ligands promote the supramolecular recognition through hydrogen bonding and other non-covalent interactions (like π-π interaction) and thereby results in higher dimensional architecture.Along with this, there are water molecules as water of crystallization. The oxygen atoms of the carboxylate moiety involve in both inter and intra-molecular hydrogen bonding with the hydrogen atoms of 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.
 
Publication, Distribution, Etc. Indian Journal of Chemistry -Section A (IJCA)
2020-10-19 12:49:45
 
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http://op.niscair.res.in/index.php/IJCA/article/view/20376
 
Data Source Entry Indian Journal of Chemistry -Section A (IJCA); ##issue.vol## 57, ##issue.no## 4 (2018): INDIAN JOURNAL OF CHEMISTRY- SECTION A
 
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Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJCA/article/download/20376/62631
http://op.niscair.res.in/index.php/IJCA/article/download/20376/62635
http://op.niscair.res.in/index.php/IJCA/article/download/20376/62636
http://op.niscair.res.in/index.php/IJCA/article/download/20376/62637
http://op.niscair.res.in/index.php/IJCA/article/download/20376/62638
http://op.niscair.res.in/index.php/IJCA/article/download/20376/465464703
http://op.niscair.res.in/index.php/IJCA/article/download/20376/465466276
 
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