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Synthesis, catalytic and biological activities and computational study of Fe(III) solvent‐ligated complexes having B(Ph) 4 as counter anion
Author(s) -
Hijazi Ahmed K.,
Taha Ziyad A.,
Ajlouni Abdulaziz M.,
AlMomani Waleed M.,
Ababneh Taher S.,
Alshare Heba M.,
Kuehn Fritz E.
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.3601
Subject(s) - chemistry , propionitrile , catalysis , acetonitrile , aniline , yield (engineering) , density functional theory , antibacterial activity , solvent , inorganic chemistry , medicinal chemistry , computational chemistry , organic chemistry , materials science , biology , bacteria , metallurgy , genetics
Fe(III) complexes of general formulae [Fe III (CH 3 CN) 6 ][B(Ph) 4 ] 3 ( 1 ) and [Fe III (C 2 H 5 CN) 6 ][B(Ph) 4 ] 3 ( 2 ) were synthesized by a direct reaction of FeCl 3 and Ag(B(Ph) 4 ) in acetonitrile and propionitrile, respectively. The complexes were characterized in the solid state and in solution. The complexes were used as catalysts for the oxidation of aniline and its derivatives. Complex 1 has better activity than complex 2 , with product yield reaching 60%. The Fe(III) complexes exhibit good antibacterial and antifungal activities. The molecular geometries of the prepared iron(III) complexes were examined using density functional theory calculations at the B3LYP/6‐31G(d) level of theory and the results obtained are in good agreement with experimental data.