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.

Ultrasonic Clusterization Process to Prepare [(NNCO)6Co4Cl2] as a Novel Double-Open-Co4O6 Cubane Cluster: SXRD Interactions, DFT, Physicochemical, Thermal Behaviors, and Biomimicking of Catecholase Activity

“…The catalytic capacity toward the oxidation of 3,5-DTBC was compared to a reference matrix with no cluster, as observed in Figure b. The sample containing the catalyst showed a very high activity; completeness was achieved within half an hour (Figure b), and meanwhile, no oxidation process was recorded under the same reaction conditions in the absence of the cluster. − ,− …”

“…In our recent work, we have synthesized several types of clusters based on cobalt, copper, and nickel ions with a general form {M 4 O 6 }, in addition to mixed samples with copper and cadmium like a bimetallic {Cd–O–Cu} double-open-cubane cluster using pyrazole alcohol compounds. The structures of most clusters were identified by single-crystal X-ray diffraction, and their oxidation properties were tested by conversion of catechol to O -quinone as an oxidation model. − In this context, the multifaceted double-open-cubane [(NNCO) 6 Co 4 Cl 2 ] cluster was achieved by ultrasonic clusterization of the 1-hydroxymethyl-3,5-dimethylpyrazole (NNCOH) ligand with Co­(II). The crystal structure of the desired [(NNCO) 6 Co 4 Cl 2 ] cubane cluster was determined by synchrotron single-crystal X-ray diffraction (SXRD); moreover, several physicochemical and density functional theory (DFT) analyses in addition to the catalytic capacity of the cluster have been evaluated.…”

The Physical Chemistry and Chemical Physics (PCCP) Section of the International Journal of Molecular Sciences in Its Publications: The First 300 Thematic Articles in the First 3 Years

“…The structure and dynamics of the molecules of inorganic compounds were considered in publications [ 107 , 111 , 170 , 175 ], inorganic ions in [ 145 , 167 , 184 ], and inorganic polymers only in article [ 110 ]. In [ 107 ], this object was methane hydrate; in [ 111 ], a Cu(II) complex with polyvinyl alcohol; in [ 170 ], a heteronuclear complex of Cu(II) and Cd(II) with a “cubane” core; and in [ 175 ], Co(III) with ammonia or 1,10-phenanthroline. The articles [ 118 , 184 ] should be noted among the works devoted to inorganic ions.…”

A new mixed pyrazole-diamine/Ni(II) complex, Crystal structure, physicochemical, thermal and antibacterial investigation

“…The complexation chemistry of pyrazole-based ligands has attracted significant attention due to their high potential for use with all transition metal ions [13][14]. Hybrid materials have acquired significant importance not only because of their structural diversity but also because of their multiple properties which can be exploited in a wide range of applications such as catalysis [15][16][17][18][19], optics [20], magnetic cooling [21], separation [22], dye adsorption [23], photo-luminescence [24], or for their anti-cancer [25], antimicrobial [26], fungicidal [27], anti-inflammatory [28], antiviral [29] and anti-oxidant behavior [30,31].…”

“…Recently, we have been working on the preparation of several types of pyrazole derivatives. The structures, spectral, physicochemical, catalytic and biological properties of the specific polychelate pyrazole coordinated to nickel, copper and cobalt transition metal ions have been clarified [15][16][17][18][19].…”