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Hirshfeld surface analysis of some new heteroleptic Copper(I) complexes

Seven new coordination complexes namely, [Cu(T1) (I) (PPh3)2] (CT1), [Cu(T2) (I) (PPh3)2] (CT2), [Cu(T3) (I) (PPh3)2] (CT3), [Cu(T4) (I) (PPh3)2] (CT4), [Cu(T5) (I) (PPh3)2] (CT5), [Cu(T6) (I) (PPh3)2] (CT6) and [Cu(T7) (I) (PPh3)2] (CT7), were synthesized and characterized by using spectroscopic an...

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Main Authors: Mohd Zubir, Mohamad Zarif, Jamaludin, Nazzatush Shimar, Halim, Siti Nadiah Abdul
Format: Article
Published: Elsevier 2019
Subjects:
Q Science (General)
QD Chemistry
Online Access:http://eprints.um.edu.my/23979/
https://doi.org/10.1016/j.molstruc.2019.05.011
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spelling my.um.eprints.239792020-03-10T03:52:35Z http://eprints.um.edu.my/23979/ Hirshfeld surface analysis of some new heteroleptic Copper(I) complexes Mohd Zubir, Mohamad Zarif Jamaludin, Nazzatush Shimar Halim, Siti Nadiah Abdul Q Science (General) QD Chemistry Seven new coordination complexes namely, [Cu(T1) (I) (PPh3)2] (CT1), [Cu(T2) (I) (PPh3)2] (CT2), [Cu(T3) (I) (PPh3)2] (CT3), [Cu(T4) (I) (PPh3)2] (CT4), [Cu(T5) (I) (PPh3)2] (CT5), [Cu(T6) (I) (PPh3)2] (CT6) and [Cu(T7) (I) (PPh3)2] (CT7), were synthesized and characterized by using spectroscopic and crystallographic methods. The results from spectroscopic data and crystal structure analysis showed that in all complexes, the acylthiourea ligands coordinated as monodentate S-donor mode. All of the complexes displayed distorted tetrahedral geometry with one iodide anion, two triphenylphosphine ligands and one acylthiourea ligand (N-benzoyl-N′-(substituted phenyl)thiourea bearing different ortho/meta-substituents; R–H, 3-Me, 3-OMe, 3-OH, 3-Cl, 2-Me and 2-OMe, T1-T7 respectively) attached to the Cu(I) central metal atom. The acylthiourea ligands behaved as a monodentate S-donor ligand instead of its common O, S-bidentate nature due to the tetrahedrally favored geometry of the copper(I) metal and the presence of two bulky group of triphenylphosphine ligand as the co-ligand. Interestingly, CT1-CT4 and CT7 crystals are isostructural and crystallized in the monoclinic P21/c crystal system whereas CT5 and CT6 are also isostructurally crystallized in the triclinic P1¯ crystal system. Isostructural structures of these two crystal systems illustrated almost similar crystal packing but with significantly different interactions as determined by Hirshfeld surface analysis which is discussed herein. © 2019 Elsevier 2019 Article PeerReviewed Mohd Zubir, Mohamad Zarif and Jamaludin, Nazzatush Shimar and Halim, Siti Nadiah Abdul (2019) Hirshfeld surface analysis of some new heteroleptic Copper(I) complexes. Journal of Molecular Structure, 1193. pp. 141-150. ISSN 0022-2860 https://doi.org/10.1016/j.molstruc.2019.05.011 doi:10.1016/j.molstruc.2019.05.011
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic Q Science (General)
QD Chemistry
spellingShingle Q Science (General)
QD Chemistry
Mohd Zubir, Mohamad Zarif
Jamaludin, Nazzatush Shimar
Halim, Siti Nadiah Abdul
Hirshfeld surface analysis of some new heteroleptic Copper(I) complexes
description Seven new coordination complexes namely, [Cu(T1) (I) (PPh3)2] (CT1), [Cu(T2) (I) (PPh3)2] (CT2), [Cu(T3) (I) (PPh3)2] (CT3), [Cu(T4) (I) (PPh3)2] (CT4), [Cu(T5) (I) (PPh3)2] (CT5), [Cu(T6) (I) (PPh3)2] (CT6) and [Cu(T7) (I) (PPh3)2] (CT7), were synthesized and characterized by using spectroscopic and crystallographic methods. The results from spectroscopic data and crystal structure analysis showed that in all complexes, the acylthiourea ligands coordinated as monodentate S-donor mode. All of the complexes displayed distorted tetrahedral geometry with one iodide anion, two triphenylphosphine ligands and one acylthiourea ligand (N-benzoyl-N′-(substituted phenyl)thiourea bearing different ortho/meta-substituents; R–H, 3-Me, 3-OMe, 3-OH, 3-Cl, 2-Me and 2-OMe, T1-T7 respectively) attached to the Cu(I) central metal atom. The acylthiourea ligands behaved as a monodentate S-donor ligand instead of its common O, S-bidentate nature due to the tetrahedrally favored geometry of the copper(I) metal and the presence of two bulky group of triphenylphosphine ligand as the co-ligand. Interestingly, CT1-CT4 and CT7 crystals are isostructural and crystallized in the monoclinic P21/c crystal system whereas CT5 and CT6 are also isostructurally crystallized in the triclinic P1¯ crystal system. Isostructural structures of these two crystal systems illustrated almost similar crystal packing but with significantly different interactions as determined by Hirshfeld surface analysis which is discussed herein. © 2019
format Article
author Mohd Zubir, Mohamad Zarif
Jamaludin, Nazzatush Shimar
Halim, Siti Nadiah Abdul
author_facet Mohd Zubir, Mohamad Zarif
Jamaludin, Nazzatush Shimar
Halim, Siti Nadiah Abdul
author_sort Mohd Zubir, Mohamad Zarif
title Hirshfeld surface analysis of some new heteroleptic Copper(I) complexes
title_short Hirshfeld surface analysis of some new heteroleptic Copper(I) complexes
title_full Hirshfeld surface analysis of some new heteroleptic Copper(I) complexes
title_fullStr Hirshfeld surface analysis of some new heteroleptic Copper(I) complexes
title_full_unstemmed Hirshfeld surface analysis of some new heteroleptic Copper(I) complexes
title_sort hirshfeld surface analysis of some new heteroleptic copper(i) complexes
publisher Elsevier
publishDate 2019
url http://eprints.um.edu.my/23979/
https://doi.org/10.1016/j.molstruc.2019.05.011
_version_ 1662755206145769472
score 13.211869

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