Bismuth(III) furfuryl based dithiocarbamates: Synthesis, structures, biological activities and their utility for the preparation of Bi₂S₃ and Bi₂O₃ nanoparticles

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• 作者：Sundaramoorthy Tamilvanan^a ; Govindasamy Gurumoorthy^b ; Subbiah Thirumaran^b ; ^{sthirumaran@yahoo.com} ; Samuele Ciattini^c
• 关键词：Bismuth(III) dithiocarbamates ; Cytotoxicity ; DFT ; Bismuth sulfide nanoparticles ; Photodegradation
• 刊名：Polyhedron
• 出版年：2017
• 出版时间：17 February 2017
• 年：2017
• 卷：123
• 期：Complete
• 页码：111-121
• 全文大小：3893 K
• 卷排序：123

文摘

Tris(N,N-difurfuryldithiocarbamato-S,S′)bismuth(III) (1) and tris(N-furfuryl-N-(2-phenylethyl)dithiocarbamato-S,S′)bismuth(III) (2) have been prepared and characterized by elemental analysis, IR, NMR (1H and 13C) spectra and single crystal X-ray diffraction. Single crystal X-ray structures of 1 and 2 show that the 1 and 2 exist as dimer and monomer, respectively. The coordination geometry of 1 and 2 are pentagonal bipyramidal and pentagonal pyramidal, respectively. The molecular geometry, HOMO–LUMO in the ground state and MEP have been calculated for both complexes using DFT method with LANL2DZ basic set. MEP diagrams support the partial double bond character of C–N(thioureide) bond. Both the complexes have been screened for in vitro antibacterial and antifungal activities and significant activities have been found. In vitro cytotoxicity studies on both the complexes against KB (oral) cell line reveal that IC50 value of 1 (69 μg/ml) is less than that of 2 (317 μg/ml). Complexes 1 and 2 were used as single source precursors for the preparation of Bi2S3 and Bi2O3 nanoparticles, respectively. The Bi2S3 and Bi2O3 have been characterized by powder X-ray diffraction, EDAX, HR-TEM, IR, UV–Vis and fluorescence spectroscopy. Powder X-ray diffraction analysis reveal orthorhombic phase and monoclinic phase for so obtained Bi2S3 and Bi2O3 nanoparticles, respectively. Photocatalytic activities of Bi2S3 and Bi2O3 were evaluated by decolourization of Rhodamine-B in aqueous solution under ultraviolet irradiation.