In vitro biological, catalytic, and DFT studies of some iron(III) N-ligated complexes

Ahmed K. Hijazi; Ziyad A. Taha; Taher S. Ababneh; Heba M. Alshare; Nezar Al-Bataineh; Waleed M. Al-Momani; Abdulaziz M. Ajlouni

doi:10.1007/s11696-019-01009-z

In vitro biological, catalytic, and DFT studies of some iron(III) N-ligated complexes

Ahmed K. Hijazi
, Ziyad A. Taha
, Taher S. Ababneh
, Heba M. Alshare
, Nezar Al-Bataineh
, Waleed M. Al-Momani
, Abdulaziz M. Ajlouni

Al Ain University of Science and Technology

Jordan University of Science and Technology
Tafila Technical University
Yarmouk University

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

Fe(III) complexes, [Fe(CH₃CN)₆][X]₃ and [Fe(CH₃CH₂CN)₆][X]₃ (where X: counter anion = B{C₆H₃(m-CF₃)₂}₄)⁻ and B(C₆F₅)₄ ⁻) have been synthesized by the reaction of FeCl₃ with Ag[B(X)₄]. Full characterization for the complexes has been done in solution and in the solid state. The complexes are obtained in good yields and are moderately sensitive to air. All complexes have been used as catalysts for aniline oxidation with yields up to 62%, in which azobenzene is the only product. Furthermore, they exhibit good antimicrobial properties. The Fe(III) complexes molecular geometries have been studied using DFT calculations at the B3LYP/6-31G(d) and B3LYP/6-31+G(d, p) levels of theory and obtained results are in agreement with the experimental data.

Original language	English
Pages (from-to)	1561-1572
Number of pages	12
Journal	Chemical Papers
Volume	74
Issue number	5
DOIs	https://doi.org/10.1007/s11696-019-01009-z
State	Published - 1 May 2020

Keywords

Aniline oxidation
Antimicrobial
Catalysis
DFT
N-ligands
Weakly coordinated anions

Access to Document

10.1007/s11696-019-01009-z

Cite this

@article{63d4893d4ad64898b4d4c787f32056f0,

title = "In vitro biological, catalytic, and DFT studies of some iron(III) N-ligated complexes",

abstract = "Fe(III) complexes, [Fe(CH3CN)6][X]3 and [Fe(CH3CH2CN)6][X]3 (where X: counter anion = B\{C6H3(m-CF3)2\}4)− and B(C6F5)4 −) have been synthesized by the reaction of FeCl3 with Ag[B(X)4]. Full characterization for the complexes has been done in solution and in the solid state. The complexes are obtained in good yields and are moderately sensitive to air. All complexes have been used as catalysts for aniline oxidation with yields up to 62\%, in which azobenzene is the only product. Furthermore, they exhibit good antimicrobial properties. The Fe(III) complexes molecular geometries have been studied using DFT calculations at the B3LYP/6-31G(d) and B3LYP/6-31+G(d, p) levels of theory and obtained results are in agreement with the experimental data.",

keywords = "Aniline oxidation, Antimicrobial, Catalysis, DFT, N-ligands, Weakly coordinated anions",

author = "Hijazi, \{Ahmed K.\} and Taha, \{Ziyad A.\} and Ababneh, \{Taher S.\} and Alshare, \{Heba M.\} and Nezar Al-Bataineh and Al-Momani, \{Waleed M.\} and Ajlouni, \{Abdulaziz M.\}",

note = "Publisher Copyright: {\textcopyright} 2019, Institute of Chemistry, Slovak Academy of Sciences.",

year = "2020",

month = may,

day = "1",

doi = "10.1007/s11696-019-01009-z",

language = "English",

volume = "74",

pages = "1561--1572",

journal = "Chemical Papers",

issn = "0366-6352",

publisher = "Springer International Publishing AG",

number = "5",

}

TY - JOUR

T1 - In vitro biological, catalytic, and DFT studies of some iron(III) N-ligated complexes

AU - Hijazi, Ahmed K.

AU - Taha, Ziyad A.

AU - Ababneh, Taher S.

AU - Alshare, Heba M.

AU - Al-Bataineh, Nezar

AU - Al-Momani, Waleed M.

AU - Ajlouni, Abdulaziz M.

PY - 2020/5/1

Y1 - 2020/5/1

N2 - Fe(III) complexes, [Fe(CH3CN)6][X]3 and [Fe(CH3CH2CN)6][X]3 (where X: counter anion = B{C6H3(m-CF3)2}4)− and B(C6F5)4 −) have been synthesized by the reaction of FeCl3 with Ag[B(X)4]. Full characterization for the complexes has been done in solution and in the solid state. The complexes are obtained in good yields and are moderately sensitive to air. All complexes have been used as catalysts for aniline oxidation with yields up to 62%, in which azobenzene is the only product. Furthermore, they exhibit good antimicrobial properties. The Fe(III) complexes molecular geometries have been studied using DFT calculations at the B3LYP/6-31G(d) and B3LYP/6-31+G(d, p) levels of theory and obtained results are in agreement with the experimental data.

AB - Fe(III) complexes, [Fe(CH3CN)6][X]3 and [Fe(CH3CH2CN)6][X]3 (where X: counter anion = B{C6H3(m-CF3)2}4)− and B(C6F5)4 −) have been synthesized by the reaction of FeCl3 with Ag[B(X)4]. Full characterization for the complexes has been done in solution and in the solid state. The complexes are obtained in good yields and are moderately sensitive to air. All complexes have been used as catalysts for aniline oxidation with yields up to 62%, in which azobenzene is the only product. Furthermore, they exhibit good antimicrobial properties. The Fe(III) complexes molecular geometries have been studied using DFT calculations at the B3LYP/6-31G(d) and B3LYP/6-31+G(d, p) levels of theory and obtained results are in agreement with the experimental data.

KW - Aniline oxidation

KW - Antimicrobial

KW - Catalysis

KW - DFT

KW - N-ligands

KW - Weakly coordinated anions

UR - https://www.scopus.com/pages/publications/85075655821

U2 - 10.1007/s11696-019-01009-z

DO - 10.1007/s11696-019-01009-z

M3 - Article

AN - SCOPUS:85075655821

SN - 0366-6352

VL - 74

SP - 1561

EP - 1572

JO - Chemical Papers

JF - Chemical Papers

IS - 5

ER -

In vitro biological, catalytic, and DFT studies of some iron(III) N-ligated complexes

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this