Formation of a water-mediated assembly of two neutral copper(ii) Schiff base fragments with a Cu2(NCS)4moiety: exploration of non-covalent C–H⋯π(bimetallo ring) interactions
Sourav Roy,Michael G. B. Drew,Antonio Bauzá,Antonio Frontera,Shouvik Chattopadhyay
出处
期刊：CrystEngComm [The Royal Society of Chemistry] 日期：2018-01-01卷期号：20 (12): 1679-1689被引量：29
标识
DOI：10.1039/c7ce01473b
摘要
The energetic features of dimer formation and water encapsulation in an interesting copper(ii) Schiff base complex, [(CuL)2⊂(H2O)][Cu2(μ1,3-NCS)2(NCS)2], have been studied using DFT calculations.
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