Excellence in Research and Innovation for Humanity

Fariba Jafari

Publications

2

Publications

2
7737
Analysis of Complexes Pairing Performat Radical and Water
Abstract:
The present article comprises a theoretical study of structures Performat radical (HCO3) with H2O molecule. We make use of ab initio quantum chemical methods. Unrestricted Hartee-Fock (UHF) with the basis set6-311+g(2df,2p) and density functional theory (B3LYP) with the basis set 6-311+g(2df,2p) and also we done atoms in molecules (AIM) theory for them. We have found four stable geometries the PerformatRadical(HCO3) with H2O.
Keywords:
Hydrogen binding, Performat Radical, Water, Gaussian, Atoms in molecules (AIM) theory
1
10003771
Acetalization of Carbonyl Compounds by Using Al2 (HPO4)3 under Green Condition Mg HPO4
Abstract:
Al2(HPO4)3 was easily prepared and used as a solid acid in acetalization of carbonyl compounds at room temperature and under solvent-free conditions. The protection was done in short reaction times and in good to high isolated yields. The cheapness and availability of this reagent with easy procedure and work-up make this method attractive for the organic synthesis.
Keywords:
Acetalization, acid catalysis, carbonylcompounds, green condition, protection.