Theoretical study on the degree of delocalization of unpaired spin in two mixed valence copper(II/I) complexes with isomeric chelating diamines and iodide
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- 作者：Subrata Janaa ; Saumitra Bhowmika ; Klaus Harmsb ; Antonio Bauzá ; c ; Antonio Fronterac ; Shouvik Chattopadhyaya ; shouvik.chem@gmail.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Copper(II) ; Copper(I) ; Crystal structure ; Spin density computation ; Degree of delocalization
- 刊名：Inorganica Chimica Acta
- 出版年：2016
- 出版时间：1 September 2016
- 年：2016
- 卷：451
- 期：Complete
- 页码：16-22
- 全文大小：1351 K
文摘
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Two mixed valence copper(II)–copper(I) complexes have been prepared by the in situ partial reduction of copper(II) with iodide.
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Both complexes have been characterized by elemental and spectral analysis and single crystal X-ray diffraction studies.
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Copper(I) centers have trigonal planar geometry in complex class="boldFont">1.
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Copper(I) centers have face-sharing tetrahedral geometry in complex class="boldFont">2.
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