HOMO AND LUMO ORGANIC CHEMISTRY FREE

Moreover, the prepared ligand and its metal complexes were tested for anticancer activity utilizing four different concentrations against the human breast cancer cell line (MCF7) and the normal melanocyte cell line (HBF4).

HOMO AND LUMO ORGANIC CHEMISTRY FREE

Various microorganisms were used to investigate the anti-pathogenic effects of the free acetylferrocene azomethine ligand and its metal chelates. The investigated acetylferrocene imine ligand behaves as bidinetate ligand towards the cations under study to form octahedral geometries in case of all complexes except in case of Zn 2+ is tetrahedral. The quantum chemical features of the azomethine ligand (HL) were computed, and its electronic and molecular structure was refined theoretically. The morphology of the free acetylferrocene azomethine via SEM analysis was net-shaped with a size of 64.73 nm, which differed in Cd(II) complex to be a spongy shape with a size of 42.43 nm. According to the TGA/DTG investigation, the ferrocene moiety spontaneously disintegrates to liberate FeO. The new acetylferrocene azomethine ligand ((Z)-cyclopenta-1,3-dien-1-yl(2-(1-((3-hydroxyphenyl)imino)ethyl)cyclopenta-2,4-dien-1-yl)iron) and its metal ion chelates were constructed and elucidated using FT-IR, UV/Vis, 1HNMR, DTA/TGA, CHNClM studies, mass spectrometry and SEM analysis. Journal of Physical Chemistry and Functional Materials.Some novel imine metal chelates with Cr 3+, Mn 2+, Fe 3+, Co 2+, Ni 2+, Cu 2+, Zn 2+, and Cd 2+ cations were produced from 2-acetylferrocene and 3-aminophenol. The Theoretical Investigation of the HOMO, LUMO energies and Chemical Reactivity of C9H12 and C7F3NH5Cl Molecules. %J Journal of Physical Chemistry and Functional Materials %T The Theoretical Investigation of the HOMO, LUMO energies and Chemical Reactivity of C9H12 and C7F3NH5Cl Molecules %0 Journal of Physical Chemistry and Functional Materials The Theoretical Investigation of the HOMO, LUMO energies and Chemical Reactivity of C9H12 and C7F3NH5Cl Molecules T2 - Journal of Physical Chemistry and Functional Materials T1 - The Theoretical Investigation of the HOMO, LUMO energies and Chemical Reactivity of C9H12 and C7F3NH5Cl Molecules 'The Theoretical Investigation of the HOMO, LUMO energies and Chemical Reactivity of C9H12 and C7F3NH5Cl Molecules'. Journal of Physical Chemistry and Functional Materials 2 (2019 'The Theoretical Investigation of the HOMO, LUMO energies and Chemical Reactivity of C9H12 and C7F3NH5Cl Molecules' Journal of Physical Chemistry and Functional Materials The Theoretical Investigation of the HOMO, LUMO energies and Chemical Reactivity of C9H12 and C7F3NH5Cl Molecules De Vleeschouwer, Journal of chemical theory and computation, 13,(2017), 1351-1365. Asian Journal of Organic Chemistry, 1,( 2012) 336-345. Introduction to elementary molecular orbital theory and to semiempirical methods, Springer Science & Business Media. Jursic, Journal of Molecular Structure: THEOCHEM, 507,( 2000) 185-192. Computational chemistry: a practical guide for applying techniques to real world problems, John Wiley & Sons. Advanced structural inorganic chemistry, Oxford University Press.ğrisch MJ, Trucks GW, Schlegel GE, Scuseria GE, Robb MA, Cheeseman JR, et al. A guide to molecular mechanics and quantum chemical calculations, Wavefunction Irvine, CA. Introduction to modern inorganic chemistry, CRC Press. Atkins' physical chemistry, Oxford university press. General Chemistry: Principles and Modern Applications, 11e.

Homo and lumo organic chemistry