Studies on nonlinear optical parameters of bis-chalcone derivatives doped polymer

Shettigar, Seetharam; Chandrasekharan, K.; Umesh, G.; Sarojini, B. K.; Narayana, B.

doi:10.1016/j.polymer.2006.03.062

Cited by 93 publications

(40 citation statements)

References 6 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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“…Additionally, it is a polar material and has large dielectric constant. Its physical durability is far superior to that of other thermoplastics [22,24]. It can be molten and molded into anything we want.…”

Section: Resultsmentioning

confidence: 99%

Investigation on third-order nonlinear optical properties of two Au(dmit)2/PMMA thin films by Z-scan technique in picosecond pulse regime

Fan

Wang

et al. 2012

Appl. Phys. A

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“…They are important and interesting natural compounds that can be easily prepared in the laboratory. Recently, chalcone derivatives have been used in the field of material science for non-linear optics, electrochemical and optical chemosensing [9][10][11][12][13][14][15][16].…”

Section: Introductionmentioning

confidence: 99%

The anodic reactivity of 4,4′-dimethoxychalcone: a synthetic and mechanistic investigation

et al. 2016

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The anodic oxidation of the 4,4 0 -dimethoxychalcone (DMC) was investigated by different electrochemical methods at a platinum working electrode and in acetonitrile as a solvent. The DMC exhibited a single irreversible anodic peak around 1.6 V versus Ag/AgCl. On the time scale of cyclic voltammetry experiments, the highly reactive radical cation issued from the first electron transfer underwent a second order rate-limiting reaction. The potential imposed electrolyses of DMC led to the formation of a semi-conducting oligomer with 40 % yield. Using different physico-chemicals methods, the structural study confirmed the formation of an o-phenylenevinylene oligomer. The values of the corresponding optical and electrochemical band gaps were calculated to be 3.15 and 2.86 eV, respectively. Finally, a mechanism for the DMC electro-oligomerization was proposed on the basis of the obtained results.

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Studies on nonlinear optical parameters of bis-chalcone derivatives doped polymer

Cited by 93 publications

References 6 publications

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

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

Investigation on third-order nonlinear optical properties of two Au(dmit)2/PMMA thin films by Z-scan technique in picosecond pulse regime

The anodic reactivity of 4,4′-dimethoxychalcone: a synthetic and mechanistic investigation

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