Ni(II) and Co(III) complexes of 5-methyl-1,3,4-thiadiazole-2-thiol: syntheses, spectral, structural, thermal analysis, and DFT calculation

被引:19
|
作者
Dani, R. K. [1 ]
Bharty, M. K. [1 ]
Prakash, Om [2 ]
Singh, Ranjan K. [2 ]
Prashanth, Billa [3 ]
Singh, Sanjay [3 ]
Singh, N. K. [1 ]
机构
[1] Banaras Hindu Univ, Dept Chem, Fac Sci, Varanasi 221005, Uttar Pradesh, India
[2] Banaras Hindu Univ, Dept Phys, Fac Sci, Varanasi 221005, Uttar Pradesh, India
[3] IISER Mohali, Dept Chem Sci, Mohali, India
关键词
1,3,4-Thiadiazole complexes; Ni(II) and Co(III) complexes; Supramolecular architecture; TGA; Antibacterial property; DFT calculation; CRYSTAL-STRUCTURES; ANTIBACTERIAL ACTIVITY; CU(II); ZN(II); 2-MERCAPTO-5-METHYL-1,3,4-THIADIAZOLE; II);
D O I
10.1080/00958972.2015.1057131
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Two new complexes, [Ni(en)(2)(mtt)(2)] (1) and [Co(en)(2)(mtt)(2)](mtt) (2) (Hmtt=5-methyl-1,3,4-thiadiazole-2-thiol and en=ethylenediamine), have been synthesized and characterized by various physicochemical techniques. Complexes 1 and 2 crystallize in monoclinic and orthorhombic system with space groups P 21/n and P 21 21 21, respectively. The molecular structures of 1 and 2 show that the metal ions are six-coordinate bonded through four equatorial nitrogens of two en and two axial nitrogens of mtt ligands. The crystal structures of the complexes reveal that mtt is present in thione form and bound to the metal ion through the thiadiazole nitrogen. The crystal structures of the complexes are stabilized by various intermolecular hydrogen bonding providing supramolecular architecture. Complex 2 is also stabilized by weak interactions occurring between two thiadiazole rings. The bioefficacies of the ligand and complexes have been examined against the growth of bacteria to evaluate their antimicrobial potential. The biological results suggest that 2 is more active than the ligand and 1 against the tested bacteria. The geometries of the ligand and the complexes have been optimized by the DFT method and the results are compared with the X-ray diffraction data. The Co(III) complex exhibits an irreversible Co(III)/Co(II) process while the Ni(II) complex displays quasi-reversible Ni(II)/Ni(III) redox processes with large peak separation as compared to that expected for a one electron process which is thought to be coupled with some chemical reaction.
引用
收藏
页码:2666 / 2681
页数:16
相关论文
共 50 条
  • [21] Syntheses, crystal structures and spectral properties of two polymeric Cd(ΙΙ) complexes with 2-methyl-5-(2-pyridyl)-1,3,4-thiadiazole
    Zhang, Hui
    Zheng, Tao
    Li, Jia-Hang
    Sun, Ai-Jing
    Wang, Zuo-Xiang
    MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2022, 740 (01) : 54 - 63
  • [22] Thermal decomposition of 5-amino-2-thiol-1,3,4-thiadiazole (<Emphasis Type=”Italic”>HATT</Emphasis>) Cu(II) and Zn(II) complexes
    J. C. D&#39;Ars de Figueiredo Jr.
    V. M. De Bellis
    M. I. Yoshida
    V. Freitas Cunha Lins
    L. A. Cruz Souza
    Journal of Thermal Analysis and Calorimetry, 2005, 79 : 313 - 317
  • [23] Syntheses and characterization of triorganotin(IV) complexes of Schiff base derive from 4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol and 5-amino-1,3,4-thiadiazole-2-thiol with p-phthalaldehyde
    Zhang, Rufen
    Wang, Qingfeng
    Li, Qianli
    Ma, Chunlin
    INORGANICA CHIMICA ACTA, 2009, 362 (08) : 2762 - 2769
  • [24] COMPLEXING BEHAVIOR OF 1,3,4-THIADIAZOLE-2-THIOL-5-AMINO .1. COMPLEXES OF FE(II), CO(II), RU(III), RU(II), RH(III), PD(IV), IR(III) ANDPT(IV)
    GAJENDRAGAD, MR
    AGARWALA, U
    JOURNAL OF INORGANIC & NUCLEAR CHEMISTRY, 1975, 37 (12): : 2429 - 2434
  • [25] Syntheses, structural and thermal studies on Zn(II) complexes of 5-aryl-1,3,4-oxadiazole-2-thione and dithiocarbamates: Antibacterial activity and DFT calculations
    Bharty, M. K.
    Dani, R. K.
    Nath, P.
    Bharti, A.
    Singh, N. K.
    Prakash, Om
    Singh, Ranjan K.
    Butcher, R. J.
    POLYHEDRON, 2015, 98 : 84 - 95
  • [26] Syntheses, Crystal Structures and Properties of 2-(5-Methyl-1,3,4-thiadiazol-2-ylthio Zinc(II) Coordination Compounds
    Pan Zhao-Rui
    Zheng He-Gen
    CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2017, 33 (09) : 1678 - 1684
  • [27] New complexes of Ni(II) and Cu(II) with Schiff bases functionalised with 1,3,4-thiadiazole: spectral, magnetic, biological and thermal characterisation
    Rodica Olar
    Mihaela Badea
    Dana Marinescu
    Veronica Lazar
    Carmen Chifiriuc
    Journal of Thermal Analysis and Calorimetry, 2009, 97 : 721 - 727
  • [28] New complexes of Ni(II) and Cu(II) with Schiff bases functionalised with 1,3,4-thiadiazole: spectral, magnetic, biological and thermal characterisation
    Olar, Rodica
    Badea, Mihaela
    Marinescu, Dana
    Lazar, Veronica
    Chifiriuc, Carmen
    JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 2009, 97 (02) : 721 - 727
  • [29] COBALT(II), NICKEL(II), COPPER(II) AND COPPER(I) COMPLEXES OF 2-MERCAPTO-5-METHYL-1,3,4-THIADIAZOLE AND 2,5-BIS(METHYLMERCAPTO)-1,3,4-THIADIAZOLE
    FABRETTI, AC
    FRANCHINI, GC
    PEYRONEL, G
    TRANSITION METAL CHEMISTRY, 1982, 7 (02) : 105 - 108
  • [30] Mixed ligand complexes of Fe(III), Co(II), Ni(II), and Cu(II) with 3-acetyl-4-hydroxy-6-methyl-2-pyrone and 1,3,4-thiadiazole-2,5-dithiol
    El-Gurashi, MA
    CHEMICAL PAPERS-CHEMICKE ZVESTI, 2001, 55 (01): : 32 - 36