Inermolecular interaction in [C6H10N3]2[CoCl4] complex: Synthesis, XRD/HSA relation, spectral and catecholase catalytic analysis

Abstract

Complex of bis(6-amino-2,4-dimethylpyrimidin-1-ium) tetrachloridecobaltate (II) [C6H10N3]2[CoCl4] was synthesized and characterized using several physicochemical surveys as FT-IR, 1H & 13C-NMR, Hirshfeld surface (HSA) and XRD-diffraction analysis. The XRD and HSA quantified a significant contribution of non-covalent H-bonds interactions in lattice to build an ionic form of the [C6H10N3]2[CoCl4] complex. The molecular arrangement is qualified for the desired complex as an alternation of inorganic and organic species, the organic C6H10N3 cationic ligand and inorganic [CoCl4] 2tetrahedral anionic metal center connected together via several short interactions like -HN-H…Cl, Nring-H+…Cl and Cring-H…Cl Hbonds interactions. The complex was tested as a catalyst for the oxidation reaction in methanol from 3,5-ditertiarybutylcatechol to 3,5 ditertiarybutylquinone. The [C6H10N3]2[CoCl4] complex displays a good catalytic activity in aerobic condition, with a reaction rate Vmax = 10.11×10-4 M.L -1 .h -1 and key kinetics parameters KM = 0.12 M and kcat = 84.08 M -1 .h -1 .

Aerial Oxidation of Phenol/Catechol in the Presence of Catalytic Amounts of [(Cl)2Mn(RCOOET)], RCOOET= Ethyl-5-Methyl-1-(((6-Methyl-3-Nitropyridin-2-yl)Amino)Methyl)-1H-Pyrazole-3-Carboxylate

“…The current structural data brings an improvement to the previous structural report [55]. namely copper [16][17][18][19][20][21][22][23][24][25][26][27][28][29], iron [30][31][32][33], cobalt [34][35][36][37][38], manganese [39][40][41][42][43][44][45][46][47][48][49][50], and zinc [51]. Mn(II) better catalyzes the oxidation reaction of phenol to o-quinone, that is why our work focuses on this kind of metal.…”

“…Using molecular oxygen, catecholase catalyzes the oxidation of a wide range of o-diphenols to their respective o-quinones, for which two electrons are transferred [15]. The catalytic activity of catecholase has been extensively investigated by modeling the active sites and incorporating various metals, namely copper [16][17][18][19][20][21][22][23][24][25][26][27][28][29], iron [30][31][32][33], cobalt [34][35][36][37][38], manganese [39][40][41][42][43][44][45][46][47][48][49][50], and zinc [51]. Mn(II) better catalyzes the oxidation reaction of phenol to o-quinone, that is why our work focuses on this kind of metal.…”

Crystal structure and Hirshfeld surface analysis of trans-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II)

“…Tetrachlorocobalt/copper (II) salts with organic cations, such as (C 6 H 10 N 3 ) 2 [CoCl 4 ] (Titi et al 2020), [(CH 3 ) 2 NH 2 ] 2 [CoCl 4 ] (Pietraszko et al 2006) and (C 7 H 7 N 2 S) 2 [CuCl 4 ] (Vishwakarma et al 2017) have received attention due to their potential applications in the electronic, magnetic, optical and antimicrobial fields. In these materials, the negative charge on the inorganic complex ion is balanced by the organic groups, which usually act as structure-directing agents by the formation of N-HÁ Á ÁCl hydrogen bonds and significantly affect the structure and dimensionality of the supramolecular network.…”

Recycling of Epoxy/Fiberglass Composite Using Supercritical Ethanol with (2,3,5-Triphenyltetrazolium)2[CuCl4] Complex

“…Currently, catalysts based on coordination compounds of transition 3d metals, and in particular, tetrahalide compounds of copper(II) and cobalt(II) of the composition (HL) n [MHal 4 ] (here L is nitrogen-containing organic heterocyclic compounds, Hal is chlorine or bromine), are of great interest as new catalytic systems. Compounds of this type catalyze oxidation reactions, radical polymerization, addition of hydrogen halides to unsaturated compounds, cyclization and others [ 39 , 40 , 41 ].…”