Synthesis, and characterization of low- and high-spin manganese(II) complexes of polyfunctional adipoyldihydrazone: Effect of coordination of N-donor ligands on stereo-redox chemistry

Basumatary, Debajani; Lal, Ram A.; Kumar, Arvind

doi:10.1016/j.molstruc.2015.02.070

Cited by 18 publications

(4 citation statements)

References 30 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…However, in the aqueous phase spectrum of 1, these absorption peaks are obtained at 228 and 271 nm, respectively. The bands at 223 and 268 nm in the UV-Vis-NIR spectrum of 2 can be ascribed due to π→π* transition of an aromatic ligand [56,57], while these peaks are obtained at 222 and 271 nm, respectively, in the aqueous phase UV-Vis spectrum of 2.…”

Section: Electronic Spectroscopymentioning

confidence: 97%

“…Absence of bands in the visible region is because of the Mn(II) center (d 5 system), for which all the electronic transitions from the 6 A 1g ground state are doubly forbidden [54,55]. The absorption bands obtained at 230 and 269 nm in the solid state spectrum of 1 are due to the π→π* transition of the aromatic ligands [56,57]. However, in the aqueous phase spectrum of 1, these absorption peaks are obtained at 228 and 271 nm, respectively.…”

Section: Electronic Spectroscopymentioning

confidence: 99%

See 1 more Smart Citation

Structure Guiding Supramolecular Assemblies in Metal-Organic Multi-Component Compounds of Mn(II): Experimental and Theoretical Studies

et al. 2023

View full text Add to dashboard Cite

Two multi-component coordination compounds of Mn(II), viz. [Mn(H2O)6](2-Mepy)2(4-NO2bz)2·2H2O (1) and [Mn(H2O)6][Mn(2,3-PDCH)3]2 (2) (where, 2-Mepy = 2-methylpyridine, 4-NO2bz = 4-nitrobenzoate, 2,3-PDC = 2,3-pyridinedicarboxylate), have been synthesized and characterized using elemental, spectroscopic (FT-IR and electronic), TGA and single-crystal X-ray diffraction analyses. Complex 1 is a co-crystal hydrate of Mn(II) involving uncoordinated 2-Mepy, 4-NO2bz and water molecules; while compound 2 is a multi-component molecular complex salt of Mn(II) comprising cationic [Mn(H2O)6]2+ and anionic [Mn(2,3-PDCH)3]−complex moieties. The uncoordinated 2-Mepy and 4-NO2bz moieties of 1 are involved in lone-pair (l.p)-π and C–H⋯π interactions which stabilize the layered assembly of the compound. The crystal structure of compound 2 has been previously reported. However, we have explored the unusual enclathration of complex cationic moieties within the supramolecular host cavities formed by the molecular assembly of complex anionic moieties. The supramolecular assemblies obtained in the crystal structure have been further studied theoretically using DFT calculations, quantum theory of atoms-in-molecules (QTAIM) and non-covalent interaction plot (NCI plot) computational tools. Theoretical studies reveal that the combination of π-staking interactions (l.p-π, π-π and C–H···π) have more structure-guiding roles compared to the H-bonds. The large binding energy of π-stacking interactions in 2 is due to the antiparallel orientation of aromatic rings and their coordination to the metal centers, thereby increasing the contribution of the dipole–dipole interactions.

show abstract

Section: Electronic Spectroscopymentioning

confidence: 97%

Section: Electronic Spectroscopymentioning

confidence: 99%

Structure Guiding Supramolecular Assemblies in Metal-Organic Multi-Component Compounds of Mn(II): Experimental and Theoretical Studies

et al. 2023

View full text Add to dashboard Cite

show abstract

“…The electronic spectra of the compounds were recorded in both the solid and aqueous phases (Figures S3 and S4). The spectra of the compounds reveal the presence of distorted octahedral Ni(II) and Co(II) centers in compounds 1 and 2, respectively [87][88][89][90][91]. The absorption peaks for the π→π* transition of the aromatic ligands were obtained at their expected positions [92][93][94].…”

Section: Electronic Spectroscopymentioning

confidence: 93%

‘Charge Reverse’ Halogen Bonding Contacts in Metal-Organic Multi-Component Compounds: Antiproliferative Evaluation and Theoretical Studies

Banik,

Baishya,

Gomila

et al. 2024

Inorganics

View full text Add to dashboard Cite

Two new metal–organic multi-component compounds of Ni(II) and Co(II), viz. [Ni(3-CNpy)2(H2O)4]ADS·2.75H2O (1) and [Co(3-CNpy)2(H2O)4](4-ClbzSO3)2 (2) (3-CNpy = 3-cyanopyridine, ADS = anthraquinone-1,5-disulfonate, 4-ClbzSO3 = 4-chlorobenzenesulfonate), were synthesized and characterized using single crystal XRD, TGA, spectroscopic (IR, electronic) and elemental analyses. Both the compounds crystallize as multi-component compounds of Ni(II) and Co(II), with uncoordinated ADS and 4-ClbzSO3 moieties in the crystal lattice, respectively. Crystal structure analyses revealed the presence of antiparallel nitrile···nitrile and π-stacked assemblies involving alternate coordinated 3-CNpy and uncoordinated ADS and 4-ClbzSO3 moieties. Moreover, unconventional charge reverse Cl∙∙∙N halogen bonding contacts observed in compound 2 provide additional reinforcement to the crystal structure. Theoretical calculations confirm that the H-bonding interactions, along with anion–π(arene) and anion–π(CN) in 1 and π–π, antiparallel CN···CN and charge reverse Cl···N halogen bonds in 2, play crucial roles in the solid state stability of the compounds. In vitro anticancer activities observed through the trypan blue cell cytotoxicity assay reveal that the compounds induce significant concentration dependent cytotoxicity in Dalton’s lymphoma (DL) cancer cells, with nominal effects in normal healthy cells. Molecular docking studies reveal that the compounds can effectively bind with the active sites of anti-apoptotic proteins, which are actively involved in cancer progression.

show abstract

“…Tetradentate NNOO Schiff-bases have been used extensively as supporting ligands in d-block chemistry because of their ability to stabilize metals in various oxidation states (Alaghaz et al, 2014;Kianfar et al, 2015;Mikhalyova et al, 2014;Borthakur et al, 2014;Basumatary et al, 2015). For many years, particular attention has been devoted to imines because of their uses as catalysts in various organic transformations (Khorshidifard et al, 2015), and for their anticancer (Shiju et al, 2015), antifungal (Abo-Aly et al, 2015) and antibacterial (Salehi et al, 2015) properties.…”

Section: Chemical Contextmentioning

confidence: 99%

Crystal structure of 1,1′-{(pentane-1,5-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)

Ouari¹,

Merzougui²,

Karmazin³

2015

Acta Cryst E

View full text Add to dashboard Cite

show abstract

Synthesis, and characterization of low- and high-spin manganese(II) complexes of polyfunctional adipoyldihydrazone: Effect of coordination of N-donor ligands on stereo-redox chemistry

Cited by 18 publications

References 30 publications

Structure Guiding Supramolecular Assemblies in Metal-Organic Multi-Component Compounds of Mn(II): Experimental and Theoretical Studies

Structure Guiding Supramolecular Assemblies in Metal-Organic Multi-Component Compounds of Mn(II): Experimental and Theoretical Studies

‘Charge Reverse’ Halogen Bonding Contacts in Metal-Organic Multi-Component Compounds: Antiproliferative Evaluation and Theoretical Studies

Crystal structure of 1,1′-{(pentane-1,5-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)

Contact Info

Product

Resources

About