Synthesis, crystal growth and studies on non-linear optical property of new chalcones

Sarojini, B. K.; Narayana, B.; Ashalatha, B. V.; Indira, J.; Lobo, Kenneth

doi:10.1016/j.jcrysgro.2006.07.013

Cited by 133 publications

(117 citation statements)

References 16 publications

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“…Beyond these very important applications in biological chemistry, chalcones have interesting optical properties including high extinction coefficients for absorption in the UV, and significant nonlinear optical responses [9][10][11][12][13][14][15], thus they can be regarded as promising candidates for new nonlinear optical (NLO) materials. Therefore, it is clear that understanding the nature of the main electronic transitions responsible for the absorption spectrum of chalcones is a problem of some practical interest, and a systematic theoretical investigation on absorption spectra of chalcone derivatives is helpful in the exploration of new nonlinear optical materials from chalcone.…”

Section: Introductionmentioning

confidence: 99%

An ab initio simulation of the UV/Visible spectra of substituted chalcones

et al. 2010

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a An ab initio simulation of the UV/Visible spectra of substituted chalcones Abstract:The electronic absorption spectra of 29 phenyl-ring substituted chalcones have been investigated with the time-dependent density functional theory (TD-DFT) and polarizable continuum TD-DFT (PCM-TD-DFT). It turns out that the hybrid PBE1PBE functional with the 6-31G basis set provide reliable λ max when the solvent effects are included in the model. Comparisons with experimental values lead to a mean absolute error of 12 nm (0.136 eV). Moreover, the observed substituent effects are reproduced by calculation qualitatively. The λ max of substituted chalcone in phenyl ring A is less sensitive to substitution than that in ring B. The linear correlation of Hammett's substituent constants (σ P ) with LUMO energies is better with respect to HOMO energies. The calculation reveals that the maximum absorption band mainly results from the π→π* transition from HOMO to LUMO. The analysis of the electron density plots of frontier molecular orbitals show that most transitions should be of valence excitation nature.

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Section: Introductionmentioning

confidence: 99%

An ab initio simulation of the UV/Visible spectra of substituted chalcones

et al. 2010

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“…FT-IR spectra were recorded on a Nicolet Magna 520 FT-IR spectrometer. 1 H NMR and 13 C NMR experiments were performed in CDCl 3 on a Brucker DPX 600 MHz spectrometer using tetramethyl silane (TMS) as internal standard at room temperature. UV-Vis electronic absorption spectra were acquired on a Shimadzu UV-1650 PC spectrophotometer.…”

Section: Apparatusmentioning

confidence: 99%

Single X-ray crystal and spectroscopic investigation of novel biologically active donor–acceptor chalcones as specific application for opto-electronics and photonics

Asiri

Khan

Basisi

2016

Journal of the Taiwan Institute of Chemical Engineers

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“…The SHG conversion efficiency of the compound was measured by the method reported in the literature [32]. In this method the conversion efficiency of a given sample taken in powder form is compared with that of a standard material such as urea or potassium dihydrogen phosphate (KDP).…”

Section: Shg Efficiencymentioning

confidence: 99%