Structural studies and biological activity evaluation of Pd(II), Pt(II) and Ru(II) complexes containing N-phenyl, N`-(3-triazolyl)thiourea

Ahmed M. Mansour

doi:10.1002/aoc.3928

Structural studies and biological activity evaluation of Pd(II), Pt(II) and Ru(II) complexes containing N-phenyl, N`-(3-triazolyl)thiourea

Ahmed M. Mansour

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

9 Citations (Scopus)

Abstract

[MCl(H₂L)(OH₂)]·1.5H₂O (M = Pd(II) (1) and Pt(II) (2)) and [Ru(H₂L)₂(OH₂)₂]·3H₂O (3) (H₃L: N-phenyl, N`-(3-triazolyl)thiourea) were synthesized, characterized and tested for their antibacterial activities against Staphylococcus aureus and Escherichia coli bacteria. The thiourea derivative is coordinated to Mⁿ⁺ ions as a mono-negatively N,S-bidentate ligand via the enolization of C = S group and triazole N center. The density functional theory calculations reveal that presence of a water molecule in a trans position to triazole ring increased the stability of d⁸ metal ions complexes via the formation of strong Cl…NH intramolecular H-bond. The cis-Ru(II)-isomer with two isoenergetically H₂L⁻ molecules are more stable than the trans-analog. Coordination of H₃L to Ru(II) ion did not alter the toxicity of the free ligand, while the interaction with the d⁸ metal ions gave rise to inactive compounds.

Original language	English
Article number	e3928
Journal	Applied Organometallic Chemistry
Volume	32
Issue number	1
DOIs	https://doi.org/10.1002/aoc.3928
Publication status	Published - Jan 2018
Externally published	Yes

Keywords

antibacterial activity
NBO
square–planar complexes
TD–DFT
thiourea

ASJC Scopus subject areas

General Chemistry
Inorganic Chemistry

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10.1002/aoc.3928

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title = "Structural studies and biological activity evaluation of Pd(II), Pt(II) and Ru(II) complexes containing N-phenyl, N`-(3-triazolyl)thiourea",

abstract = "[MCl(H2L)(OH2)]·1.5H2O (M = Pd(II) (1) and Pt(II) (2)) and [Ru(H2L)2(OH2)2]·3H2O (3) (H3L: N-phenyl, N`-(3-triazolyl)thiourea) were synthesized, characterized and tested for their antibacterial activities against Staphylococcus aureus and Escherichia coli bacteria. The thiourea derivative is coordinated to Mn+ ions as a mono-negatively N,S-bidentate ligand via the enolization of C = S group and triazole N center. The density functional theory calculations reveal that presence of a water molecule in a trans position to triazole ring increased the stability of d8 metal ions complexes via the formation of strong Cl…NH intramolecular H-bond. The cis-Ru(II)-isomer with two isoenergetically H2L− molecules are more stable than the trans-analog. Coordination of H3L to Ru(II) ion did not alter the toxicity of the free ligand, while the interaction with the d8 metal ions gave rise to inactive compounds.",

keywords = "antibacterial activity, NBO, square–planar complexes, TD–DFT, thiourea",

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

note = "Publisher Copyright: Copyright {\textcopyright} 2017 John Wiley & Sons, Ltd.",

year = "2018",

month = jan,

doi = "10.1002/aoc.3928",

language = "English",

volume = "32",

journal = "Applied Organometallic Chemistry",

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T1 - Structural studies and biological activity evaluation of Pd(II), Pt(II) and Ru(II) complexes containing N-phenyl, N`-(3-triazolyl)thiourea

AU - Mansour, Ahmed M.

PY - 2018/1

Y1 - 2018/1

N2 - [MCl(H2L)(OH2)]·1.5H2O (M = Pd(II) (1) and Pt(II) (2)) and [Ru(H2L)2(OH2)2]·3H2O (3) (H3L: N-phenyl, N`-(3-triazolyl)thiourea) were synthesized, characterized and tested for their antibacterial activities against Staphylococcus aureus and Escherichia coli bacteria. The thiourea derivative is coordinated to Mn+ ions as a mono-negatively N,S-bidentate ligand via the enolization of C = S group and triazole N center. The density functional theory calculations reveal that presence of a water molecule in a trans position to triazole ring increased the stability of d8 metal ions complexes via the formation of strong Cl…NH intramolecular H-bond. The cis-Ru(II)-isomer with two isoenergetically H2L− molecules are more stable than the trans-analog. Coordination of H3L to Ru(II) ion did not alter the toxicity of the free ligand, while the interaction with the d8 metal ions gave rise to inactive compounds.

AB - [MCl(H2L)(OH2)]·1.5H2O (M = Pd(II) (1) and Pt(II) (2)) and [Ru(H2L)2(OH2)2]·3H2O (3) (H3L: N-phenyl, N`-(3-triazolyl)thiourea) were synthesized, characterized and tested for their antibacterial activities against Staphylococcus aureus and Escherichia coli bacteria. The thiourea derivative is coordinated to Mn+ ions as a mono-negatively N,S-bidentate ligand via the enolization of C = S group and triazole N center. The density functional theory calculations reveal that presence of a water molecule in a trans position to triazole ring increased the stability of d8 metal ions complexes via the formation of strong Cl…NH intramolecular H-bond. The cis-Ru(II)-isomer with two isoenergetically H2L− molecules are more stable than the trans-analog. Coordination of H3L to Ru(II) ion did not alter the toxicity of the free ligand, while the interaction with the d8 metal ions gave rise to inactive compounds.

KW - antibacterial activity

KW - NBO

KW - square–planar complexes

KW - TD–DFT

KW - thiourea

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ER -

Structural studies and biological activity evaluation of Pd(II), Pt(II) and Ru(II) complexes containing N-phenyl, N`-(3-triazolyl)thiourea

Abstract

Keywords

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