《Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach》 was written by I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M.. Application of 1195-59-1 And the article was included in New Journal of Chemistry in 2020. The article conveys some information:
In contrast to polynuclear complex models for biomimetic activity, a series of mononuclear complexes are designed in this work in order to assess their catecholase activity and kinetics. Four new complexes, namely, [Mn(pdmH2)(Phen)Cl]Cl·H2O (1), [Mn(pmmH)2(SCN)2] (2), [Ni(pmmH)2(SCN)2] (3) and [Zn(phen)3][(pdm)]·11H2O (4) utilizing an amino alc. ligand, pyridine-2,6-dimethanol (pdmH2) or 2-pyridinemonomethanol (pmmH), and an auxiliary ligand, 1,10-phenanthroline (phen) or thiocyanate (SCN-), are synthesized. The complexes are characterized by elemental anal., FTIR, UV-visible, EPR, fluorescence (solution and solid state), Hirshfeld surface anal., magnetic, single crystal X-ray and DFT/TD-DFT studies. X-ray structures confirm the geometry around the M(II) ions to be octahedral in all the complexes. In 1-3, the primary aminoalc. ligand binds to a metal ion in a neutral (pdmH2 or pmmH) mode while 4 exists as a cation-anion type complex where a deprotonated ligand (pdm2-) is present in the outer sphere having no coordination to the metal. The Zn(II) complex also shows remarkable luminescence in the solid state photoluminescence spectrum. Variable temperature magnetic studies show the presence of antiferromagnetic exchange in 1-3 (θ = -2.8, -1.7 and -5.2, resp.) with the observation of anisotropy (D = 4.0 and E = 3.4) in 3. DFT/TD-DFT results provide ample information regarding the structures, spin densities, charge distribution, and electronic spectra along with the transitions. The spin d. values, ρ = 4.793, 4.792 and 1.676, confirm the presence of five, five and two unpaired electrons on the metal d-orbitals of 1, 2 and 3, resp. Interestingly, solvent dependent catecholase activity has been observed for the first time in mononuclear Mn(II) complexes (1 and 2) with Kcat = 2602.8 h-1 (acetonitrile), 1490.4 h-1 (methanol) for 1, and 1083.6 h-1 (acetonitrile), 806.4 h-1 (methanol) for 2. This can be rationalized in terms of the coordinating powers of the solvent, i.e., DMSO > MeOH > MeCN. Further, the order of activity in 1 and 2 (i.e., 1 > 2) and inactivity of 3 and 4 are very well corroborated by DFT which ascertains the highest charge contribution on the metal in 1 [33% on HOMO and 2% on LUMO of Mn(II)] resulting in the formation of the most stable metal-substrate adduct, thus enhancing the activity. The results came from multiple reactions, including the reaction of 2,6-Pyridinedimethanol(cas: 1195-59-1Application of 1195-59-1)
2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. Pyridine is a relatively complex molecule and exhibits a number of different bands in IR spectra. Among others, the bands characterizing the ν8a and ν19b modes have been found to be sensitive to the coordination or protonation of the molecule. Note that the band that is diagnostic for the PyH+ ion at about 1545 cm− 1 (ν19b mode) does not overlap with any of the other bands.Application of 1195-59-1
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts