-
Journal of Chemical Sciences
Volume 135, 2023
All articles
Continuous Article Publishing mode
ESMA LAMERA
Articles written in Journal of Chemical Sciences
Volume 129 Issue 6 June 2017 pp 721-731 Regular Aricle
ESMA LAMERA LYAMINE MESSAADIA SOFIANE BOUACIDA AISSA CHIBANI KARIM BOUCHOUIT BOUCHTA SAHRAOUI ABDELMALEK BOURAIOU
Two condensed phthalazine compounds were synthesized and characterized by FT-IR, UV-Vis,NMR spectroscopic studies. Single crystal XRD and molecular orbital calculations. Optimized geometrical structures were computed with RB3LYP method with the 6-31G(p, d) basis set. The geometrical parameters of both compounds obtained from Single Crystal XRD were found to be in accord with the calculated (DFT) values. The electronic contribution χ₃THG was measured using the third harmonic generation technique on thin films at 1064 nm for both compounds. Also, the values of dipole moment μ, the average polarizability ¯α, and the first static hyperpolarizability (β0) were computed. The theoretical and experimental results confirm the NLO behavior of both compounds.
Volume 135, 2023
All articles
Continuous Article Publishing mode
Click here for Editorial Note on CAP Mode
© 2022-2023 Indian Academy of Sciences, Bengaluru.