Nonlinear Optical Properties of Novel Mono-O-Hydroxy Bidentate Schiff Base : Quantum Chemical Calculations
Author
Source
International Journal of Metals
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-5, 5 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-12-17
Country of Publication
Egypt
No. of Pages
5
Main Subjects
Earth Science , Water and Environment
Materials Science , Minerals
Abstract EN
The semiempirical AM1 SCF method is used to study the first static hyperpolarizabilities β of some novel mono-O-Hydroxy bidentate Schiff base in which electron donating (D) and electron accepting (A) groups were introduced on either side of the Schiff base ring system.
Geometries of all molecules were optimized at the semiempirical AM1.
The first static hyperpolarizabilities of these molecules were calculated using Hyperchem package.
To understand this phenomenon in the context of molecular orbital picture, we examined the molecular HOMO and molecular LUMO generated via Hyperchem.
The study reveals that the mono-O-Hydroxy bidentate Schiff bases have large β values and hence in general may have potential applications in the development of nonlinear optical materials.
American Psychological Association (APA)
Labidi, N. S.. 2013. Nonlinear Optical Properties of Novel Mono-O-Hydroxy Bidentate Schiff Base : Quantum Chemical Calculations. International Journal of Metals،Vol. 2013, no. 2013, pp.1-5.
https://search.emarefa.net/detail/BIM-511946
Modern Language Association (MLA)
Labidi, N. S.. Nonlinear Optical Properties of Novel Mono-O-Hydroxy Bidentate Schiff Base : Quantum Chemical Calculations. International Journal of Metals No. 2013 (2013), pp.1-5.
https://search.emarefa.net/detail/BIM-511946
American Medical Association (AMA)
Labidi, N. S.. Nonlinear Optical Properties of Novel Mono-O-Hydroxy Bidentate Schiff Base : Quantum Chemical Calculations. International Journal of Metals. 2013. Vol. 2013, no. 2013, pp.1-5.
https://search.emarefa.net/detail/BIM-511946
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-511946