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<p style="text-align: justify;">A green polymeric zinc(II) complex: Synthesis, structural characterization, and theoretical studies</p>

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Title Statement <p style="text-align: justify;">A green polymeric zinc(II) complex: Synthesis, structural characterization, and theoretical studies</p>
 
Added Entry - Uncontrolled Name Ghosh, Rajarshi ; The University of Burdwan
Pal, Abhijit ; Department of Chemistry, The University of Burdwan, Burdwan 713 104, West Bengal, India
Kumar, Sarat Chandra; Department of Chemistry, The University of Burdwan, Burdwan 713 104, West Bengal, India
Mitra, Partha ; Department of Inorganic Chemistry, Indian Association for the Cultivation of Science, Kolkata 700 032, West Bengal, India
Chowdhury, Shubhamoy ; Department of Chemistry, University of Gour Banga, Malda 732 103, West Bengal, India
Department of Science & Technology, Govt of West Bengal, India
 
Uncontrolled Index Term Coordination chemistry, Coordination polymers, Polymeric complexes, Molecular orbital energy calculations, Density functional calculations, Zinc, 4,4¢-Bipyridine
 
Summary, etc. <p style="text-align: justify;">Synthesis and X-ray structural characterization of a Zn(II) polymer [Zn(NCS)<sub>2</sub>(L)]<sub>n</sub> (<strong>1</strong>) [L = 4,4¢-bipyridine] have been reported. The compound, having a metal [Zn(II)] with <em>d</em><sup>10 </sup>electronic configuration at the centre of each monomeric unit, shows green colour (absorption band at 648 nm). Molecular orbital energy calculations (and the theoretical spectra obtained therefrom) using GAUSSIAN-09 program package show that HOMO-LUMO energy difference gradually decreases from monomeric to tetrameric units. On considering λ<sub>max</sub> to be 648 nm in the non-linear fit equation (λ<sub>max </sub>versus molecular units), it is found that 13 molecular units are responsible for the experimentally observed green color of <strong>1</strong>.</p>
 
Publication, Distribution, Etc. Indian Journal of Chemistry -Section A (IJCA)
2020-12-10 16:52:48
 
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http://op.niscair.res.in/index.php/IJCA/article/view/18923
 
Data Source Entry Indian Journal of Chemistry -Section A (IJCA); ##issue.vol## 56, ##issue.no## 12 (2017): INDIAN JOURNAL OF CHEMISTRY - SECTION A
 
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Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJCA/article/download/18923/57584
http://op.niscair.res.in/index.php/IJCA/article/download/18923/57585
http://op.niscair.res.in/index.php/IJCA/article/download/18923/58386
http://op.niscair.res.in/index.php/IJCA/article/download/18923/58387
 
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