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Synthesis, characterisation and hirshfeld surface analysis of phosphanecopper(I) acylthiourea complexes / Mohamad Zarif Mohd Zubir

A series of phosphanecopper(I) complexes of acylthiourea derivatives have been synthesised and characterised by a combination of FTIR spectroscopic studies, NMR spectroscopic studies, X-ray crystallography and Hirshfeld surface analysis. One series of thirteen acylthiourea ligands of the type N-benz...

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Main Author: Mohamad Zarif, Mohd Zubir
Format: Thesis
Published: 2019
Subjects:
Q Science (General)
QD Chemistry
Online Access:http://studentsrepo.um.edu.my/11009/1/Mohamad_Zarif.pdf
http://studentsrepo.um.edu.my/11009/2/Mohamad_Zarif.pdf
http://studentsrepo.um.edu.my/11009/
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spelling my.um.stud.110092020-02-18T23:41:19Z Synthesis, characterisation and hirshfeld surface analysis of phosphanecopper(I) acylthiourea complexes / Mohamad Zarif Mohd Zubir Mohamad Zarif, Mohd Zubir Q Science (General) QD Chemistry A series of phosphanecopper(I) complexes of acylthiourea derivatives have been synthesised and characterised by a combination of FTIR spectroscopic studies, NMR spectroscopic studies, X-ray crystallography and Hirshfeld surface analysis. One series of thirteen acylthiourea ligands of the type N-benzoyl-N’-(R-substituted phenyl)thiourea, where R is H, 3-Me, 3-OMe, 3-OH, 3-Cl, 2-Me, 2-OMe, 2-OH, 2-Cl, 4-Me, 4-OMe, 4-OH, 4-Cl denoted by T1-T13 respectively, have been synthesised and verified spectroscopically. These series of ligand (T1-T13) was then followed by a complexation step with a copper(I) salt and triphenylphosphine to form the phosphanecopper(I) complexes of N-benzoyl-N’-(R-substituted phenyl)thiourea, given the complexes formula of, [Cu(T)(I)(PPh3)] designated by CT1-CT13 respectively. All the complexes were characterised spectroscopically, and some were with X-ray crystallography. Results from spectroscopic data and some with crystal structure analysis show that in all complexes the acylthiourea ligands coordinated as monodentate S-donor mode. The crystallisation of complexes from acetonitrile yielded good prismatic, yellow single crystals suitable for X-ray crystallography. The complexes CT1-CT7 showed a distorted tetrahedral with a single acylthiourea ligand, two triphenylphosphine act as a co-ligand and one iodide anion. The acylthiourea ligands behaved as a hypodentate S-donor ligand instead of its common O, S-bidentate nature due to the tetrahedrally favoured geometry of the copper(I) centre and the presence of two bulky group of triphenylphosphine ligand as the co-ligand. It was obtained that CT1-CT4 and CT7 crystals crystallised in the monoclinic P21/c crystal system whereas CT5 and CT6 crystallised in triclinic P1̅crystal system. The isostructural structures of these two crystal systems illustrated almost similar crystal packing but with significantly different interactions as determined by Hirshfeld surface analysis. 2019-07 Thesis NonPeerReviewed application/pdf http://studentsrepo.um.edu.my/11009/1/Mohamad_Zarif.pdf application/pdf http://studentsrepo.um.edu.my/11009/2/Mohamad_Zarif.pdf Mohamad Zarif, Mohd Zubir (2019) Synthesis, characterisation and hirshfeld surface analysis of phosphanecopper(I) acylthiourea complexes / Mohamad Zarif Mohd Zubir. Masters thesis, University of Malaya. http://studentsrepo.um.edu.my/11009/
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Student Repository
url_provider http://studentsrepo.um.edu.my/
topic Q Science (General)
QD Chemistry
spellingShingle Q Science (General)
QD Chemistry
Mohamad Zarif, Mohd Zubir
Synthesis, characterisation and hirshfeld surface analysis of phosphanecopper(I) acylthiourea complexes / Mohamad Zarif Mohd Zubir
description A series of phosphanecopper(I) complexes of acylthiourea derivatives have been synthesised and characterised by a combination of FTIR spectroscopic studies, NMR spectroscopic studies, X-ray crystallography and Hirshfeld surface analysis. One series of thirteen acylthiourea ligands of the type N-benzoyl-N’-(R-substituted phenyl)thiourea, where R is H, 3-Me, 3-OMe, 3-OH, 3-Cl, 2-Me, 2-OMe, 2-OH, 2-Cl, 4-Me, 4-OMe, 4-OH, 4-Cl denoted by T1-T13 respectively, have been synthesised and verified spectroscopically. These series of ligand (T1-T13) was then followed by a complexation step with a copper(I) salt and triphenylphosphine to form the phosphanecopper(I) complexes of N-benzoyl-N’-(R-substituted phenyl)thiourea, given the complexes formula of, [Cu(T)(I)(PPh3)] designated by CT1-CT13 respectively. All the complexes were characterised spectroscopically, and some were with X-ray crystallography. Results from spectroscopic data and some with crystal structure analysis show that in all complexes the acylthiourea ligands coordinated as monodentate S-donor mode. The crystallisation of complexes from acetonitrile yielded good prismatic, yellow single crystals suitable for X-ray crystallography. The complexes CT1-CT7 showed a distorted tetrahedral with a single acylthiourea ligand, two triphenylphosphine act as a co-ligand and one iodide anion. The acylthiourea ligands behaved as a hypodentate S-donor ligand instead of its common O, S-bidentate nature due to the tetrahedrally favoured geometry of the copper(I) centre and the presence of two bulky group of triphenylphosphine ligand as the co-ligand. It was obtained that CT1-CT4 and CT7 crystals crystallised in the monoclinic P21/c crystal system whereas CT5 and CT6 crystallised in triclinic P1̅crystal system. The isostructural structures of these two crystal systems illustrated almost similar crystal packing but with significantly different interactions as determined by Hirshfeld surface analysis.
format Thesis
author Mohamad Zarif, Mohd Zubir
author_facet Mohamad Zarif, Mohd Zubir
author_sort Mohamad Zarif, Mohd Zubir
title Synthesis, characterisation and hirshfeld surface analysis of phosphanecopper(I) acylthiourea complexes / Mohamad Zarif Mohd Zubir
title_short Synthesis, characterisation and hirshfeld surface analysis of phosphanecopper(I) acylthiourea complexes / Mohamad Zarif Mohd Zubir
title_full Synthesis, characterisation and hirshfeld surface analysis of phosphanecopper(I) acylthiourea complexes / Mohamad Zarif Mohd Zubir
title_fullStr Synthesis, characterisation and hirshfeld surface analysis of phosphanecopper(I) acylthiourea complexes / Mohamad Zarif Mohd Zubir
title_full_unstemmed Synthesis, characterisation and hirshfeld surface analysis of phosphanecopper(I) acylthiourea complexes / Mohamad Zarif Mohd Zubir
title_sort synthesis, characterisation and hirshfeld surface analysis of phosphanecopper(i) acylthiourea complexes / mohamad zarif mohd zubir
publishDate 2019
url http://studentsrepo.um.edu.my/11009/1/Mohamad_Zarif.pdf
http://studentsrepo.um.edu.my/11009/2/Mohamad_Zarif.pdf
http://studentsrepo.um.edu.my/11009/
_version_ 1738506430606999552
score 13.211869

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