Synthesis, spectral, X-ray single structure, DFT Calculations and Antimicrobial Activities of [Co(II)X2 (dmphen)] (X= Br and SCN-)
- Publication Type
- Original research
- Authors
- Ismail Warad
- Mousa Al-Noaimi
- Firas F. Awwadi
- Salim F. Haddad
- Wamidh H. Talib
- Shehdeh Jodeh
- Smaail Radi
- Taibi Ben Hadda
- Muneer Abdoh
- S. Naveen
- N. K. Lokanath
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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 -region of S atom. This agrees with the observed geometricalpthan
the corresponding values in the
.°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).
- Title
- Journal of Molecular Structure Volume 1086, Pages 153–160
- Publisher
- --
- Publisher Country
- Palestine
- Publication Type
- Both (Printed and Online)
- Volume
- --
- Year
- 2015
- Pages
- --