Synthesis, NMR and Single Crystal analysis of Novel 2,9-dimethyl-4,7-diphenyl[1,10]phenanthrolinediium

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Journal Title, Volume, Page: 
J. Mater. Environ. Sci. . 5 (2) (2014) 470-475
Year of Publication: 
2014
Authors: 
Ismail Warad
Salim F. Haddad
Mousa Al-Noaimi
Mohammed A Al-Nuri
Belkheir Hammouti
Taibi B. Hadda
Ahmed Boshaala
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 -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).

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