2024 : 4 : 16
Akbar Mobinikhaledi

Akbar Mobinikhaledi

Academic rank: Professor
ORCID: https://orcid.org/0000-0002-9732-7282
Education: PhD.
ScopusId: 6701730547
Faculty: Science
Address: Arak University
Phone:

Research

Title
Synthesis of new, vital and pharmacologically important bis phthalazine-triones using an ef fi cient magnetic nanocatalyst and their HF and NBO investigation
Type
JournalPaper
Keywords
Bis phthalazine-triones, MNPs, One-pot synthesis Hartree-Fock method
Year
2020
Journal Journal of molecular structure: Theochem
DOI
Researchers Mahdia Hamidinasab ، Mohammad Ali Bodaghifard ، Akbar Mobinikhaledi

Abstract

One-pot pseudo five-component synthesis of some new, vital and pharmaceutically important bis 1HIndazolo [1,2-b]phthalazine-triones has been considered in presence of prepared NiFe2O4@TiO2-DEAOSO3H nanostructure as an efficient magnetic nanocatalyst. The synthesized compounds can be good candidates to have diverse biological potency and efficacy. The geometry, electronic structure, natural bond orbitals (NBO) and molecular electrostatic potential (MEP) surface analysis were carried out for some bis 1H-Indazolo [1,2-b]phthalazine-triones using HF/3-21G computational method. The theoretical studies revealed the existense of intramoleculare hydrogen bonds and high HOMO-LUMO energy gap for the products structures. Some advantages of this protocol are high yields, short reaction times, simple purification, and environmentally mild reaction conditions. Furthermore, the catalyst was reused at least six times without substantial loss of catalytic activity