Synthesis, structure and some properties of a manganese(II) benzoate containing diimine

Paul, Pranajit; Roy, Subhadip; Sarkar, Sanjay; Chowdhury, Shubhamoy; Purkayastha, Ranendra N. Dutta; Raghavaiah, Pallepogu; McArdle, Patrick; Deb, Lokesh; Devi, Sarangthem Indira

doi:10.1016/j.molstruc.2015.08.049

Cited by 7 publications

(1 citation statement)

References 45 publications

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“…The solid state UV-Vis-NIR spectrum of compound 1 shows no absorption bands in the visible region because of all the doubly forbidden electronic transitions from the ground state 6 A 1g of the Mn(II) center (d 5 system) [93]. The peaks for the π→π* absorption of the benzoate and Hdmpz ligands are obtained at the expected positions [94,95].…”

Section: Electronic Spectroscopymentioning

confidence: 97%

Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies

Boro,

Baishya,

Frontera

et al. 2024

Crystals

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Two new coordination compounds comprising Mn(II) and Cu(II) viz. [Mn(bz)2(Hdmpz)2(H2O)] (1) and [Cu(crot)2(Hdmpz)2] (2) (where, bz = benzoate; crot = crotonate; Hdmpz = 3, 5-dimethyl pyrazole) were synthesized and characterized. The characterization involved a single crystal X-ray diffraction technique, FT-IR spectroscopy, electronic spectroscopy, TGA, and elemental analyses. Compounds 1 and 2 crystallize as mononuclear entities of Hdmpz with penta-coordinated Mn(II) and hexa-coordinated Cu(II), respectively. These complexes exhibit distorted trigonal bipyramidal and distorted octahedral geometries, respectively. A crystal structure analysis of compound 1 elucidates the existence of C–H⋯π and π-stacking interactions alongside O–H⋯O, N–H⋯O, and C–H⋯O H-bonding interactions contributing to the stabilization of the compound’s layered assembly. Similarly, in compound 2, the crystal structure stability is attributed to the presence of hydrogen bonding in conjugation with π-stacking interactions. We conducted theoretical investigations to analyze π⋯π, H-bonding, and antiparallel CH···π non-covalent interactions observed in compounds 1 and 2. DFT calculations were performed to find out the strength of these interactions energetically. Moreover, QTAIM and non-covalent interaction (NCI) plot index theoretical tools were employed to characterize them and evaluate the contribution of the H-bonds.

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Section: Electronic Spectroscopymentioning

confidence: 97%

Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies

Boro,

Baishya,

Frontera

et al. 2024

Crystals

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Computational study of the [(CO)2(benzoate)MII/III(terephthalate)]0/1+ complexes with M = V, Cr, Mn, Fe and Co

Shirani

Sabzyan

2019

Computational and Theoretical Chemistry

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Synthesis, crystal structure, luminescent properties and antibacterial activities of zinc complexes with bipyridyl and salicylate ligands

Chooset

Kantacha

Chainok

et al. 2018

Inorganica Chimica Acta

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Synthesis, structure and some properties of a manganese(II) benzoate containing diimine

Cited by 7 publications

References 45 publications

Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies

Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies

Computational study of the [(CO)2(benzoate)MII/III(terephthalate)]0/1+ complexes with M = V, Cr, Mn, Fe and Co

Synthesis, crystal structure, luminescent properties and antibacterial activities of zinc complexes with bipyridyl and salicylate ligands

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Synthesis, structure and some properties of a manganese(II) benzoate containing diimine

Cited by 7 publications

References 45 publications

Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies

Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies

Computational study of the [(CO)2(benzoate)MII/III(terephthalate)]0/1+ complexes with M = V, Cr, Mn, Fe and Co

Synthesis, crystal structure, luminescent properties and antibacterial activities of zinc complexes with bipyridyl and salicylate ligands

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Computational study of the [(CO)2(benzoate)MII/III(terephthalate)]0/1+ complexes with M = V, Cr, Mn, Fe and Co