Diaquabis(ethylenediamine)copper(II) vs. monoaquabis(ethylenediamine)copper(II): Synthesis, characterization, single crystal X-ray structure determination, theoretical calculations and antimicrobial activities of [Cu(en)₂(H₂O)₂](2-phenoxybenzoate)₂·H₂O and [Cu(en)₂(H₂O)](d

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• 作者：Raj Pal Sharma^a ; ^{rpsharmapu@yahoo.co.in} ; Anju Saini^a ; Santosh Kumar^a ; Jitendra Kumar^a ; Paloth Venugopalan^a ; Vijay Singh Gondil^b ; Sanjay Chhibber^b ; Thammarat Aree^c ; ^{thammarat.aree@gmail.com}
• 关键词：Copper(II) ; Coordination chemistry ; 2-Phenoxybenzoate ; Diphenylacetate ; X-ray crystallography
• 刊名：Polyhedron
• 出版年：2017
• 出版时间：17 February 2017
• 年：2017
• 卷：123
• 期：Complete
• 页码：430-440
• 全文大小：2692 K
• 卷排序：123

文摘

Two new copper(II) complexes of composition [Cu(en)2(H2O)2](2-phenoxybenzoate)2·H2O, 1 and [Cu(en)2(H2O)](diphenylacetate)2·3H2O, 2 (where en = ethylenediamine) have been synthesized, characterized by elemental analyses, spectroscopic techniques (UV–vis and FT-IR), magnetic moment determination and conductance measurements and their structures have been unequivocally confirmed by single crystal X-ray analysis. Both complexes crystallize in the monoclinic crystal system with space groups C2/c, for 1 and P21/n, for 2. Complex 1 exhibits a distorted octahedral geometry with four nitrogen atoms of chelating en ligands and two oxygen atoms of water molecules coordinated to central Cu(II) ion, whereas complex 2 shows a square pyramidal geometry around copper(II) with four nitrogen atoms of chelating en ligands and one oxygen atom of water molecule. Crystal structures of both complexes are stabilized by collective interplay of various non-covalent interactions such as O–H⋯O, N–H⋯O and C–H⋯π interactions, besides electrostatic attraction. DFT optimization studies clearly showed that complex 2 is quite stable with square pyramidal geometry than expected octahedral geometry. Both complexes show potential antibacterial activities against gram positive and gram negative bacteria.