%0 Journal Article
%T Structural and Optical Properties of Some 5, 8-Diaminoquinoxaline Schiff Bases: Quantum Chemical Calculations
%A Vahideh Hadigheh-Rezvan
%J -
%D 2018
%X The molecular structure and optical properties of Schiff bases derived from condensation 4-substituated benzaldehyde    (1) and 5, 8-diaminoquinoxaline were researched. These Schiff bases were survived using DFT/B3LYP method and    6-311++G (d, p) basis sets. This is the first report on the linear, non-linear optical properties and HOMO-LUMO    molecular orbitals analysis of these compounds. Also, some quantum chemical parameters derived from frontier    molecular orbitals were studied
%K Vahideh Hadigheh-Rezvan*
%K Bahareh Pilevar-Maleki
%K Dipole moment
%K Polarizability
%K Density functional theory (DFT)
%K Optical properties
%K Hyperpolarizability
%K 5
%K 8-diaminoquinoxaline
%K Frontier molecular orbitals
%K Schiff bases
%U https://www.imedpub.com/abstract/structural-and-optical-properties-of-some-5-8diaminoquinoxaline-schiff-bases-quantum-chemical-calculations-21748.html