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Structural studies and quantum chemical calculations of Cr(III), Fe(III) and Ru(III) bromazepam complexes
Author(s) -
Mansour Ahmed M.,
Shehab Ola R.
Publication year - 2017
Publication title -
applied organometallic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.53
H-Index - 71
eISSN - 1099-0739
pISSN - 0268-2605
DOI - 10.1002/aoc.3635
Subject(s) - chemistry , bromazepam , denticity , octahedron , metal , pyridine , ligand (biochemistry) , crystallography , molecule , ion , inorganic chemistry , metal ions in aqueous solution , proton nmr , stereochemistry , crystal structure , medicinal chemistry , organic chemistry , biochemistry , receptor , benzodiazepine
The reaction of bromazepam (7‐bromo‐1,3‐dihydro‐5‐(2‐pyridyl)‐2 H ‐1,4‐benzodiazepin‐2‐one, BZM) with Cr(III) ( 1 ), Fe(III) ( 2 ) and Ru(III) ( 3 ) salts gives complexes of the type [M(BZM) 3 ]⋅3X (X = Cl or NO 3 ). Structural characterization was extensively carried out using various analytical and spectral tools such as infrared, 1 H NMR and UV–visible spectroscopies and magnetic, conductance, elemental and thermal analyses. BZM is a bidentate ligand and interacts with the metal ions via the pyridine and benzodiazepin‐2‐one nitrogen atoms. The magnetic and electronic properties of 2 and 3 are consistent with low‐spin octahedral complexes. The three BZM molecules are non‐isoenergetically coordinated to the metal ions and this is reflected in the values of the second‐order interaction energy. The antibacterial activity was studied using Staphylococcus aureus and Escherichia coli . Coordination of BZM to Cr(III) or Ru(III) ions leads to a marked increase in toxicity with respect to the inactive Fe(III) complex 2 .