Importance of chelate-chelate stacking interactions in crystal structures of square pyramidal copper(II) complexes with two distinct chelating bidentate ligands
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- 作者：Satavisha Bhattacharyaa ; Sumit Roya ; Klaus Harmsb ; Antonio Bauzac ; Antonio Fronterac ; toni.frontera@uib.es" class="auth_mail" title="E-mail the corresponding author ; Shouvik Chattopadhyaya ; shouvik.chem@gmail.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Copper(II) ; Square pyramidal ; Supramolecular interactions ; DFT study
- 刊名：Inorganica Chimica Acta
- 出版年：2016
- 出版时间：1 March 2016
- 年：2016
- 卷：442
- 期：Complete
- 页码：16-23
- 全文大小：2611 K
文摘
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Synthesis of two new square pyramidal copper(II) complexes.
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Confirmation of structures by XRD analysis.
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Analysis of the supramolecular interactions in the solid state by DFT calculation.
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Evaluation of the energy associated with N, C–H/π contributions.
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Use of Bader’s AIM theory to further describe the non-covalent π-stacking and N, C–H/π interactions.
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