What happens when (1H-benzimidazol-2-ylmethyl)-N-phenyl amine is added to copper(II) acetate? Spectroscopic, magnetic, and DFT studies

Ahmed M. Mansour

doi:10.1016/j.ica.2013.08.026

What happens when (1H-benzimidazol-2-ylmethyl)-N-phenyl amine is added to copper(II) acetate? Spectroscopic, magnetic, and DFT studies

Ahmed M. Mansour

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

22 Citations (Scopus)

Abstract

On performing a reaction between (1H-benzimidazol-2-ylmethyl)-N-phenyl amine (H₂L) and copper(II) acetate in methanol, a green "paddle-wheel" copper(II) complex, [Cu₂(CH ₃COO)₄(H₂L)₂] (1), was separated after about 5 min. The two Cu atoms are separated by 2.852 Å and bridged by four bidentate acetate groups with Cu-O distance of 2.012-2.043 Å as calculated by DFT/B3LYP method. As the reflux continues, the reaction mixture was rapidly turned brown, and a polymeric complex, {[Cu₂(CH ₃COO)₃(H₂O)₂(HL)]}_n (2), was separated. In complex 2, the benzimidazole ligand serves as a bridge between dimeric Cu₂(CH₃COO)₃(H₂O) ₂ units via the benzimidazole moiety. The anionic effect was established by comparing complexes (1) and (2) with [Cu(H₂L) ₂(OH₂)₂Cl]·Cl (3). Variable temperature magnetic susceptibility measurements of compound 2 showed occurrence of large anti-ferromagnetic interactions caused by the presence of syn-syn conformation of bridged acetate groups in terms of direct interaction, and π-π super exchange pathway of the benzimidazolate moiety.

Original language	English
Pages (from-to)	186-192
Number of pages	7
Journal	Inorganica Chimica Acta
Volume	408
DOIs	https://doi.org/10.1016/j.ica.2013.08.026
Publication status	Published - 2013
Externally published	Yes

Keywords

Benzimidazole
Copper(II) acetate
EPR
Magnetic
Paddle-wheel
TD-DFT

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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title = "What happens when (1H-benzimidazol-2-ylmethyl)-N-phenyl amine is added to copper(II) acetate? Spectroscopic, magnetic, and DFT studies",

abstract = "On performing a reaction between (1H-benzimidazol-2-ylmethyl)-N-phenyl amine (H2L) and copper(II) acetate in methanol, a green {"}paddle-wheel{"} copper(II) complex, [Cu2(CH 3COO)4(H2L)2] (1), was separated after about 5 min. The two Cu atoms are separated by 2.852 {\AA} and bridged by four bidentate acetate groups with Cu-O distance of 2.012-2.043 {\AA} as calculated by DFT/B3LYP method. As the reflux continues, the reaction mixture was rapidly turned brown, and a polymeric complex, {[Cu2(CH 3COO)3(H2O)2(HL)]}n (2), was separated. In complex 2, the benzimidazole ligand serves as a bridge between dimeric Cu2(CH3COO)3(H2O) 2 units via the benzimidazole moiety. The anionic effect was established by comparing complexes (1) and (2) with [Cu(H2L) 2(OH2)2Cl]·Cl (3). Variable temperature magnetic susceptibility measurements of compound 2 showed occurrence of large anti-ferromagnetic interactions caused by the presence of syn-syn conformation of bridged acetate groups in terms of direct interaction, and π-π super exchange pathway of the benzimidazolate moiety.",

keywords = "Benzimidazole, Copper(II) acetate, EPR, Magnetic, Paddle-wheel, TD-DFT",

author = "Mansour, {Ahmed M.}",

year = "2013",

doi = "10.1016/j.ica.2013.08.026",

language = "English",

volume = "408",

pages = "186--192",

journal = "Inorganica Chimica Acta",

issn = "0020-1693",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - What happens when (1H-benzimidazol-2-ylmethyl)-N-phenyl amine is added to copper(II) acetate? Spectroscopic, magnetic, and DFT studies

AU - Mansour, Ahmed M.

PY - 2013

Y1 - 2013

N2 - On performing a reaction between (1H-benzimidazol-2-ylmethyl)-N-phenyl amine (H2L) and copper(II) acetate in methanol, a green "paddle-wheel" copper(II) complex, [Cu2(CH 3COO)4(H2L)2] (1), was separated after about 5 min. The two Cu atoms are separated by 2.852 Å and bridged by four bidentate acetate groups with Cu-O distance of 2.012-2.043 Å as calculated by DFT/B3LYP method. As the reflux continues, the reaction mixture was rapidly turned brown, and a polymeric complex, {[Cu2(CH 3COO)3(H2O)2(HL)]}n (2), was separated. In complex 2, the benzimidazole ligand serves as a bridge between dimeric Cu2(CH3COO)3(H2O) 2 units via the benzimidazole moiety. The anionic effect was established by comparing complexes (1) and (2) with [Cu(H2L) 2(OH2)2Cl]·Cl (3). Variable temperature magnetic susceptibility measurements of compound 2 showed occurrence of large anti-ferromagnetic interactions caused by the presence of syn-syn conformation of bridged acetate groups in terms of direct interaction, and π-π super exchange pathway of the benzimidazolate moiety.

AB - On performing a reaction between (1H-benzimidazol-2-ylmethyl)-N-phenyl amine (H2L) and copper(II) acetate in methanol, a green "paddle-wheel" copper(II) complex, [Cu2(CH 3COO)4(H2L)2] (1), was separated after about 5 min. The two Cu atoms are separated by 2.852 Å and bridged by four bidentate acetate groups with Cu-O distance of 2.012-2.043 Å as calculated by DFT/B3LYP method. As the reflux continues, the reaction mixture was rapidly turned brown, and a polymeric complex, {[Cu2(CH 3COO)3(H2O)2(HL)]}n (2), was separated. In complex 2, the benzimidazole ligand serves as a bridge between dimeric Cu2(CH3COO)3(H2O) 2 units via the benzimidazole moiety. The anionic effect was established by comparing complexes (1) and (2) with [Cu(H2L) 2(OH2)2Cl]·Cl (3). Variable temperature magnetic susceptibility measurements of compound 2 showed occurrence of large anti-ferromagnetic interactions caused by the presence of syn-syn conformation of bridged acetate groups in terms of direct interaction, and π-π super exchange pathway of the benzimidazolate moiety.

KW - Benzimidazole

KW - Copper(II) acetate

KW - EPR

KW - Magnetic

KW - Paddle-wheel

KW - TD-DFT

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JO - Inorganica Chimica Acta

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ER -

What happens when (1H-benzimidazol-2-ylmethyl)-N-phenyl amine is added to copper(II) acetate? Spectroscopic, magnetic, and DFT studies

Abstract

Keywords

ASJC Scopus subject areas

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