He, Dingsheng published the artcileQuantum chemical study of extraction characteristics of kinetic synergist OT in liquid membrane using HPMBP as carrier, HPLC of Formula: 4551-69-3, the publication is Separation and Purification Technology (2013), 289-296, database is CAplus.
Kinetic synergic extraction in solvent extraction chem. was investigated by quantum chem. computations. D. functional theory (DFT) and conceptual DFT studies were carried out for us to analyze the extraction characteristics of kinetic synergist OT (Manoxol OT) in liquid membrane containing HPMBP (1-phenyl-3-methyl-4-benzoyl-pyrazolone-5) as the carrier to sep. Cu(II) from Cu-Zn sulfate binary mixture solution Reactivity indexes verify that all the copper(II) complexes are more reactive than the zinc(II) complexes and the Cu(II) site of the copper(II) species is more electrophilic than the Zn(II) site of all the corresponding zinc(II) species in the presence of OT. The quantum chem. computation demonstrates that the extraction of Cu(II) ions is composed of the two chem. reactions and M(H2O)2A2 (M = Cu and Zn) is an intermediate product. The LUMO of Cu(H2O)2A2 contains high anti-bonding characters and the mol. has a smaller HOMO-LUMO gap. The formation of the intermediate product, Cu(H2O)2A2, evidently improves the selectivity and the extraction rate for Cu(II) ions. The different polarity for CuR2 and ZnR2 provides the evidence on the selectivity of the extraction system for Cu(II) species. Through theor. computations and the anal. for the intermediate product M(H2O)2A2, we can also forecast the probability of the separation for the different metal ions based on M(H2O)2A2 before solvent extraction and liquid membrane separation experiments, as shown in this work.
Separation and Purification Technology published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, HPLC of Formula: 4551-69-3.
Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics