%0 Journal Article
%T Structural and Optical Properties of Some 5, 8-Diaminoquinoxaline Schiff Bases: Quantum Chemical Calculations | Insight Medical Publishing
%A Bahareh Pilevar-Maleki
%A Vahideh Hadigheh-Rezvan
%J Der chemica Sinica
%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.
%U http://www.imedpub.com/articles/structural-and-optical-properties-of-some-5-8diaminoquinoxaline-schiff-bases-quantum-chemical-calculations.php?aid=21748