Synthesis of novel tetra(µ3-methoxo) bridged with [cu(ii)-o-cd(ii)] double-open-cubane cluster: Xrd/hsa-interactions, spectral and oxidizing properties

Abderrahim Titi; Mouslim Messali; Rachid Touzani; Mohammed Fettouhi; Abdelkader Zarrouk; Nabil Al-Zaqri; Ali Alsalme; Fahad A. Alharthi; Amjad Alsyahi; Ismail Warad

doi:10.3390/ijms21228787

Synthesis of novel tetra(µ₃-methoxo) bridged with [cu(ii)-o-cd(ii)] double-open-cubane cluster: Xrd/hsa-interactions, spectral and oxidizing properties

Abderrahim Titi^*, Mouslim Messali, Rachid Touzani, Mohammed Fettouhi, Abdelkader Zarrouk, Nabil Al-Zaqri, Ali Alsalme, Fahad A. Alharthi, Amjad Alsyahi, Ismail Warad^*

^*Corresponding author for this work

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

5 Scopus citations

Abstract

A new double-open-cubane core Cd(II)-O-Cu(II) bimetallic ligand mixed cluster of type [Cl₂Cu₄Cd₂(NNO)₆(NN)₂(NO₃)₂].CH₃CN was made available in EtOH/CH₃CN solution. The 1-hydroxymethyl-3,5-dimethylpyrazole (NNOH) and 3,5-dimethylpyrazole (NNH) act as N,O-polydentate anion ligands in coordinating the Cu(II) and Cd(II) centers. The structure of the cluster in the solid state was proved by XRD study and confirmed in the liquid state by UV-vis analysis. The XRD result supported the construction of two octahedral and one square pyramid geometries types around the four Cu(II) centers and only octahedral geometry around Cd(II) two centers. Interestingly, NNOH ligand acts as a tetra-µ³-oxo and tri-µ²-oxo ligand; meanwhile, the N-N in NNH acts as classical bidentate anion/neutral ligands. The interactions in the lattice were detected experimentally by the XRD-packing result and computed via Hirschfeld surface analysis (HSA). The UV-vis., FT-IR and Energy Dispersive X-ray (EDX), supported the desired double-open cubane cluster composition. The oxidation potential of the desired cluster was evaluated using a 3,5-DTB-catechol 3,5-DTB-quinone as a catecholase model reaction.

Original language	English
Article number	8787
Pages (from-to)	1-14
Number of pages	14
Journal	International Journal of Molecular Sciences
Volume	21
Issue number	22
DOIs	https://doi.org/10.3390/ijms21228787
State	Published - 2 Nov 2020

Bibliographical note

Publisher Copyright:
© 2020 by the authors. Licensee MDPI, Basel, Switzerland.

Keywords

Catecholase
Cd-O-Cu cluster
Spectral
XRD/HSA

ASJC Scopus subject areas

Catalysis
Molecular Biology
Spectroscopy
Computer Science Applications
Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry

Access to Document

10.3390/ijms21228787

Cite this

Titi, A., Messali, M., Touzani, R., Fettouhi, M., Zarrouk, A., Al-Zaqri, N., Alsalme, A., Alharthi, F. A., Alsyahi, A., & Warad, I. (2020). Synthesis of novel tetra(µ₃-methoxo) bridged with [cu(ii)-o-cd(ii)] double-open-cubane cluster: Xrd/hsa-interactions, spectral and oxidizing properties. International Journal of Molecular Sciences, 21(22), 1-14. Article 8787. https://doi.org/10.3390/ijms21228787

@article{0e3aa91b17a3478697600b7949d98475,

title = "Synthesis of novel tetra(µ3-methoxo) bridged with [cu(ii)-o-cd(ii)] double-open-cubane cluster: Xrd/hsa-interactions, spectral and oxidizing properties",

abstract = "A new double-open-cubane core Cd(II)-O-Cu(II) bimetallic ligand mixed cluster of type [Cl2Cu4Cd2(NNO)6(NN)2(NO3)2].CH3CN was made available in EtOH/CH3CN solution. The 1-hydroxymethyl-3,5-dimethylpyrazole (NNOH) and 3,5-dimethylpyrazole (NNH) act as N,O-polydentate anion ligands in coordinating the Cu(II) and Cd(II) centers. The structure of the cluster in the solid state was proved by XRD study and confirmed in the liquid state by UV-vis analysis. The XRD result supported the construction of two octahedral and one square pyramid geometries types around the four Cu(II) centers and only octahedral geometry around Cd(II) two centers. Interestingly, NNOH ligand acts as a tetra-µ3-oxo and tri-µ2-oxo ligand; meanwhile, the N-N in NNH acts as classical bidentate anion/neutral ligands. The interactions in the lattice were detected experimentally by the XRD-packing result and computed via Hirschfeld surface analysis (HSA). The UV-vis., FT-IR and Energy Dispersive X-ray (EDX), supported the desired double-open cubane cluster composition. The oxidation potential of the desired cluster was evaluated using a 3,5-DTB-catechol 3,5-DTB-quinone as a catecholase model reaction.",

keywords = "Catecholase, Cd-O-Cu cluster, Spectral, XRD/HSA",

author = "Abderrahim Titi and Mouslim Messali and Rachid Touzani and Mohammed Fettouhi and Abdelkader Zarrouk and Nabil Al-Zaqri and Ali Alsalme and Alharthi, {Fahad A.} and Amjad Alsyahi and Ismail Warad",

note = "Publisher Copyright: {\textcopyright} 2020 by the authors. Licensee MDPI, Basel, Switzerland.",

year = "2020",

month = nov,

day = "2",

doi = "10.3390/ijms21228787",

language = "English",

volume = "21",

pages = "1--14",

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Titi, A, Messali, M, Touzani, R, Fettouhi, M, Zarrouk, A, Al-Zaqri, N, Alsalme, A, Alharthi, FA, Alsyahi, A & Warad, I 2020, 'Synthesis of novel tetra(µ₃-methoxo) bridged with [cu(ii)-o-cd(ii)] double-open-cubane cluster: Xrd/hsa-interactions, spectral and oxidizing properties', International Journal of Molecular Sciences, vol. 21, no. 22, 8787, pp. 1-14. https://doi.org/10.3390/ijms21228787

Synthesis of novel tetra(µ₃-methoxo) bridged with [cu(ii)-o-cd(ii)] double-open-cubane cluster: Xrd/hsa-interactions, spectral and oxidizing properties. / Titi, Abderrahim; Messali, Mouslim; Touzani, Rachid et al.
In: International Journal of Molecular Sciences, Vol. 21, No. 22, 8787, 02.11.2020, p. 1-14.

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

TY - JOUR

T1 - Synthesis of novel tetra(µ3-methoxo) bridged with [cu(ii)-o-cd(ii)] double-open-cubane cluster

T2 - Xrd/hsa-interactions, spectral and oxidizing properties

AU - Titi, Abderrahim

AU - Messali, Mouslim

AU - Touzani, Rachid

AU - Fettouhi, Mohammed

AU - Zarrouk, Abdelkader

AU - Al-Zaqri, Nabil

AU - Alsalme, Ali

AU - Alharthi, Fahad A.

AU - Alsyahi, Amjad

AU - Warad, Ismail

PY - 2020/11/2

Y1 - 2020/11/2

N2 - A new double-open-cubane core Cd(II)-O-Cu(II) bimetallic ligand mixed cluster of type [Cl2Cu4Cd2(NNO)6(NN)2(NO3)2].CH3CN was made available in EtOH/CH3CN solution. The 1-hydroxymethyl-3,5-dimethylpyrazole (NNOH) and 3,5-dimethylpyrazole (NNH) act as N,O-polydentate anion ligands in coordinating the Cu(II) and Cd(II) centers. The structure of the cluster in the solid state was proved by XRD study and confirmed in the liquid state by UV-vis analysis. The XRD result supported the construction of two octahedral and one square pyramid geometries types around the four Cu(II) centers and only octahedral geometry around Cd(II) two centers. Interestingly, NNOH ligand acts as a tetra-µ3-oxo and tri-µ2-oxo ligand; meanwhile, the N-N in NNH acts as classical bidentate anion/neutral ligands. The interactions in the lattice were detected experimentally by the XRD-packing result and computed via Hirschfeld surface analysis (HSA). The UV-vis., FT-IR and Energy Dispersive X-ray (EDX), supported the desired double-open cubane cluster composition. The oxidation potential of the desired cluster was evaluated using a 3,5-DTB-catechol 3,5-DTB-quinone as a catecholase model reaction.

AB - A new double-open-cubane core Cd(II)-O-Cu(II) bimetallic ligand mixed cluster of type [Cl2Cu4Cd2(NNO)6(NN)2(NO3)2].CH3CN was made available in EtOH/CH3CN solution. The 1-hydroxymethyl-3,5-dimethylpyrazole (NNOH) and 3,5-dimethylpyrazole (NNH) act as N,O-polydentate anion ligands in coordinating the Cu(II) and Cd(II) centers. The structure of the cluster in the solid state was proved by XRD study and confirmed in the liquid state by UV-vis analysis. The XRD result supported the construction of two octahedral and one square pyramid geometries types around the four Cu(II) centers and only octahedral geometry around Cd(II) two centers. Interestingly, NNOH ligand acts as a tetra-µ3-oxo and tri-µ2-oxo ligand; meanwhile, the N-N in NNH acts as classical bidentate anion/neutral ligands. The interactions in the lattice were detected experimentally by the XRD-packing result and computed via Hirschfeld surface analysis (HSA). The UV-vis., FT-IR and Energy Dispersive X-ray (EDX), supported the desired double-open cubane cluster composition. The oxidation potential of the desired cluster was evaluated using a 3,5-DTB-catechol 3,5-DTB-quinone as a catecholase model reaction.

KW - Catecholase

KW - Cd-O-Cu cluster

KW - Spectral

KW - XRD/HSA

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U2 - 10.3390/ijms21228787

DO - 10.3390/ijms21228787

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JO - International Journal of Molecular Sciences

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