Second harmonic generation and crystal growth of new chalcone derivatives

Patil, P. S.; Dharmaprakash, S. M.; Konijeti, Ramakrishna; Fun, Hoong‐Kun; Kumar, Ravi; Rao, D. Narayana

doi:10.1016/j.jcrysgro.2006.12.068

Cited by 105 publications

(49 citation statements)

References 20 publications

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“…Chalcones are useful intermediates for obtaining the variety of heterocycles [1][2][3][4][5]. Various chalcone derivatives are remarkable materials for their second harmonic generation [6]. They are naturally occurring plant metabolites possess a broad spectrum of biological activities such as cancer cell lines [7][8], antimitotic [9], antiinflammatory [10], hepatoprotective [11], molluscicidal properties [12], heme oxygenase-1 [13], antimicrobial [14] etc... .…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Characterisation and Biological Screening of s-Triazine Based Chalcones and its Derivatization into Phenyl Pyrazolines, Isoxazoles

Solankee¹,

Tailor²

2015

ILCPA

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Heterocyclic derivatives such as phenyl pyrazolines and isoxaxoles were prepared from striazine based chalcones. Chalcones (A 1 -A 5 ) are synthesised by the reaction of compound (V) with various aromatic aldehydes. Moreover, further reaction of chalcones with phenyl hydrazine hydrochloride and hydroxylamine hydrochloride in the presence of alkali gives phenyl pyrazolines (A 6 -A 10 ) and isoxazoles (A 11 -A 15 ) derivatives respectively. The structures of the newly synthesised compounds were confiremed by spectroscopic (IR, 1 H NMR, 13 C NMR) and elemental analysis. All the newly synthesised compounds have been screened for their antimicrobial activity against selected Gram -positive (S. aureus and S. pyogenus), Gram -negative (E. coli and P. aeruginosa) bacterial and fungal strains (C. albicans, A. niger and A. clavatus).

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Section: Introductionmentioning

confidence: 99%

Synthesis, Characterisation and Biological Screening of s-Triazine Based Chalcones and its Derivatization into Phenyl Pyrazolines, Isoxazoles

Solankee¹,

Tailor²

2015

ILCPA

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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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“…2, 7 Nonlinear optical efficacy of the organic materials is governed by their non-centrosymmetric structures, great hyperpolarizability (β) and their packing motifs in the solid state. 8 Organic molecules with long conjugation systems that usually exhibit high β values are certainly strong candidates in the area of non-linear optics.…”

Section: Introductionmentioning

confidence: 99%

Functionalized organic frameworks explored as second order NLO agents

Singh

Rathi

Medviediev³

et al. 2016

J Chem Sci

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Abstract.A new class of chiral phthalimides functionalized with aryl piperazines was designed anticipating their strong candidature for crystal engineering and technological applications. Five new phthalimides were synthesized, characterized and subjected to single crystal X-ray diffraction study that directed their noncentrosymmetric structures. Four phthalimides crystallized in P 2 1 space group with monoclinic crystal system, however, one was found to possess P 2 1 2 1 2 1 space group with orthorhombic system. The supramolecular architectures of phthalimide crystals were analysed by an approach based on consideration of energy of intermolecular interaction. The molecular hyperpolarizability (β) calculation for all the listed phthalimides indicated their promising candidature for NLO materials. Further, the crystalline form of all phthalimides was evaluated for their second harmonic generation (SHG) response. A significant response of 16.4 mV was measured for phthalimide possessing t-butyl substituent at the para position of 4-benzylpiperazine. This high SHG response may be attributed to the molecular chirality and helical supramolecular frameworks stabilized by C-H· · · O hydrogen bonds in the solid state. The current study attests chiral phthalimides possessing arylpiperazines as effective nominees to the area of crystal engineering and nonlinear optics.

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Second harmonic generation and crystal growth of new chalcone derivatives

Cited by 105 publications

References 20 publications

Synthesis, Characterisation and Biological Screening of s-Triazine Based Chalcones and its Derivatization into Phenyl Pyrazolines, Isoxazoles

Synthesis, Characterisation and Biological Screening of s-Triazine Based Chalcones and its Derivatization into Phenyl Pyrazolines, Isoxazoles

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

Functionalized organic frameworks explored as second order NLO agents

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