Synthesis, crystal structure, theoretical calculations and antimicrobial properties of [Pt(tetramethylthiourea)4] [Pt(CN)4]·4H2O

Haseeba Sadaf; Anvarhusein A. Isab; Saeed Ahmad; Arturo Espinosa; Míriam Mas-Montoya; Islam Ullah Khan; Ejaz; Seerat Ur Rehman; Muhammad Akhtar Javed Ali; Muhammad Saleem; José Ruiz; Christoph Janiak

doi:10.1016/j.molstruc.2014.12.076

Synthesis, crystal structure, theoretical calculations and antimicrobial properties of [Pt(tetramethylthiourea)₄] [Pt(CN)₄]·4H₂O

Haseeba Sadaf
, Anvarhusein A. Isab
, Saeed Ahmad^*
, Arturo Espinosa
, Míriam Mas-Montoya
, Islam Ullah Khan
, Ejaz
, Seerat Ur Rehman
, Muhammad Akhtar Javed Ali
, Muhammad Saleem
, José Ruiz
, Christoph Janiak

^*Corresponding author for this work

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

6 Scopus citations

Abstract

A new platinum(II) complex, [Pt(Tmtu)₄][Pt(CN)₄]·4H₂O (1) was synthesized by reaction of K₂[PtCl₄], KCN and tetramethylthiourea (Tmtu). Its structure was determined by X-ray crystallography. The [Pt(CN)₄]^2- anion shows regular square planar geometry at platinum, while in the [Pt(Tmtu)₄]²⁺ cation the geometry at platinum is somewhat distorted. Hydrogen bonding between water molecules and the cyanide nitrogen of [Pt(CN)₄]^2- ions stabilizes the structure and leads to a supramolecular 2D network. DFT calculations support the experimentally found dinuclear (homocoordinated) ion-pair structure 1 as the most stable in comparison to noncovalent dimer [Pt(CN)₂(Tmtu)₂]₂ 2₂ that could, in turn, be involved in the formation sequence of 1. Antimicrobial activities of the complex were evaluated by minimum inhibitory concentration and the results showed that the complex exhibited moderate activities against gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa) and molds (Aspergillus niger, Penicillium citrinum).

Original language	English
Pages (from-to)	155-161
Number of pages	7
Journal	Journal of Molecular Structure
Volume	1085
DOIs	https://doi.org/10.1016/j.molstruc.2014.12.076
State	Published - 5 Apr 2015

Bibliographical note

Publisher Copyright:
© 2015 Elsevier B.V. All rights reserved.

Keywords

Cyanide
DFT calculations
Platinum(II) complexes
Tetramethylthiourea
X-ray structure

ASJC Scopus subject areas

Analytical Chemistry
Spectroscopy
Organic Chemistry
Inorganic Chemistry

Access to Document

10.1016/j.molstruc.2014.12.076

Cite this

Sadaf, H., Isab, A. A., Ahmad, S., Espinosa, A., Mas-Montoya, M., Khan, I. U., Ejaz, Rehman, S. U., Ali, M. A. J., Saleem, M., Ruiz, J., & Janiak, C. (2015). Synthesis, crystal structure, theoretical calculations and antimicrobial properties of [Pt(tetramethylthiourea)₄] [Pt(CN)₄]·4H₂O. Journal of Molecular Structure, 1085, 155-161. https://doi.org/10.1016/j.molstruc.2014.12.076

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title = "Synthesis, crystal structure, theoretical calculations and antimicrobial properties of [Pt(tetramethylthiourea)4] [Pt(CN)4]·4H2O",

abstract = "A new platinum(II) complex, [Pt(Tmtu)4][Pt(CN)4]·4H2O (1) was synthesized by reaction of K2[PtCl4], KCN and tetramethylthiourea (Tmtu). Its structure was determined by X-ray crystallography. The [Pt(CN)4]2- anion shows regular square planar geometry at platinum, while in the [Pt(Tmtu)4]2+ cation the geometry at platinum is somewhat distorted. Hydrogen bonding between water molecules and the cyanide nitrogen of [Pt(CN)4]2- ions stabilizes the structure and leads to a supramolecular 2D network. DFT calculations support the experimentally found dinuclear (homocoordinated) ion-pair structure 1 as the most stable in comparison to noncovalent dimer [Pt(CN)2(Tmtu)2]2 22 that could, in turn, be involved in the formation sequence of 1. Antimicrobial activities of the complex were evaluated by minimum inhibitory concentration and the results showed that the complex exhibited moderate activities against gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa) and molds (Aspergillus niger, Penicillium citrinum).",

keywords = "Cyanide, DFT calculations, Platinum(II) complexes, Tetramethylthiourea, X-ray structure",

author = "Haseeba Sadaf and Isab, \{Anvarhusein A.\} and Saeed Ahmad and Arturo Espinosa and M{\'i}riam Mas-Montoya and Khan, \{Islam Ullah\} and Ejaz and Rehman, \{Seerat Ur\} and Ali, \{Muhammad Akhtar Javed\} and Muhammad Saleem and Jos{\'e} Ruiz and Christoph Janiak",

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AU - Sadaf, Haseeba

AU - Isab, Anvarhusein A.

AU - Ahmad, Saeed

AU - Espinosa, Arturo

AU - Mas-Montoya, Míriam

AU - Khan, Islam Ullah

AU - Ejaz,

AU - Rehman, Seerat Ur

AU - Ali, Muhammad Akhtar Javed

AU - Saleem, Muhammad

AU - Ruiz, José

AU - Janiak, Christoph

PY - 2015/4/5

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N2 - A new platinum(II) complex, [Pt(Tmtu)4][Pt(CN)4]·4H2O (1) was synthesized by reaction of K2[PtCl4], KCN and tetramethylthiourea (Tmtu). Its structure was determined by X-ray crystallography. The [Pt(CN)4]2- anion shows regular square planar geometry at platinum, while in the [Pt(Tmtu)4]2+ cation the geometry at platinum is somewhat distorted. Hydrogen bonding between water molecules and the cyanide nitrogen of [Pt(CN)4]2- ions stabilizes the structure and leads to a supramolecular 2D network. DFT calculations support the experimentally found dinuclear (homocoordinated) ion-pair structure 1 as the most stable in comparison to noncovalent dimer [Pt(CN)2(Tmtu)2]2 22 that could, in turn, be involved in the formation sequence of 1. Antimicrobial activities of the complex were evaluated by minimum inhibitory concentration and the results showed that the complex exhibited moderate activities against gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa) and molds (Aspergillus niger, Penicillium citrinum).

AB - A new platinum(II) complex, [Pt(Tmtu)4][Pt(CN)4]·4H2O (1) was synthesized by reaction of K2[PtCl4], KCN and tetramethylthiourea (Tmtu). Its structure was determined by X-ray crystallography. The [Pt(CN)4]2- anion shows regular square planar geometry at platinum, while in the [Pt(Tmtu)4]2+ cation the geometry at platinum is somewhat distorted. Hydrogen bonding between water molecules and the cyanide nitrogen of [Pt(CN)4]2- ions stabilizes the structure and leads to a supramolecular 2D network. DFT calculations support the experimentally found dinuclear (homocoordinated) ion-pair structure 1 as the most stable in comparison to noncovalent dimer [Pt(CN)2(Tmtu)2]2 22 that could, in turn, be involved in the formation sequence of 1. Antimicrobial activities of the complex were evaluated by minimum inhibitory concentration and the results showed that the complex exhibited moderate activities against gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa) and molds (Aspergillus niger, Penicillium citrinum).

KW - Cyanide

KW - DFT calculations

KW - Platinum(II) complexes

KW - Tetramethylthiourea

KW - X-ray structure

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