Synthesis, Spectral, X-Ray Single Structure, DFT Calculations and Antimicrobial Activities of ‎‎[Co(II)X2 (Dmphen)] (X = Br And SCN−)‎

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Journal Title, Volume, Page: 
Journal of Molecular Structure Volume 1086, Pages 153–160
Year of Publication: 
2015
Authors: 
Shehdeh Jodeh
Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, State of Palestine
Current Affiliation: 
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Muneer Abdoh
Current Affiliation: 
Department of Physics, Faculty of Science, An-Najah National University, Nablus, Palestine
Ismail Warad
Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, State of Palestine
Mousa Al-Noaimi
Department of Chemistry, Hashemite University, Zarqa 13115, Jordan
Firas F. Awwadi
Chemistry Department, Faculty of Science, The University of Jordan, Amman 11942, Jordan
Salim F. Haddad
Chemistry Department, Faculty of Science, The University of Jordan, Amman 11942, Jordan
Wamidh H. Talib
Department of Clinical Pharmacy and Therapeutics, Applied Science University, Amman 11931, Jordan
Shehdeh Jodeh
Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, State of Palestine
Smaail Radi
Lab of Chemical Material, FSO, University Mohammed Premier, Oujda 60000, Morocco
Taibi Ben Hadda
Lab of Chemical Material, FSO, University Mohammed Premier, Oujda 60000, Morocco
S. Naveen
Institution of Excellence, Vijnana Bhavana, University of Mysore, Manasagangotri, Mysore 570 006, India
N.K. Lokanath
Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India
Preferred Abstract (Original): 

Two tetrahedral mononuclear complexes with a general formula [CoX2(dmphen)](1–2) (where dmphen is 2,9-dimethyl-1,10-phenanthroline and 1 (X = Br), 2 (X = NCS)) have been synthesized. These complexes are characterized by elemental analysis, IR, UV–visible, TG/DTA and by X-ray diffraction. The calculated electrostatic potential surface of 2 has shown that the electrostatic potential values around sulfur atom is anistropically distributed; the potential values along C–S bond is less negative than the corresponding values in the π-region of S atom. This agrees with the observed geometrical arrangement of C–H⋯S–C hydrogen bonding interactions, the avg. of H⋯S–C angle is 81°. Antimicrobial properties of cobalt(II) complexes was also assessed. Cobalt complexes exhibited significant antibacterial activity against different gram negative and positive human pathogens. The absorption spectrum of these complexes in acetone was modeled by time-dependent density functional theory (TD-DFT).

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Synthesis, Spectral, X-Ray Single Structure, DFT ‎Calculations and Antimicrobial Activities of ‎‎[Co(II)X2 (Dmphen)] (X = Br And SCN−)‎1.56 MB