Synthesis, growth and characterization of a long-chain π-conjugation based methoxy chalcone derivative single crystal; a third order nonlinear optical material for optical limiting applications

Vinaya, P.P.; Prabhu, A. N.; Bhat, K. Subrahmanya; Upadhyaya, V.

doi:10.1016/j.optmat.2019.01.061

Cited by 52 publications

(13 citation statements)

References 56 publications

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“…The packing diagram of 4M1PMS and 4BPMS molecules were generated by using MERCURY software [32] and ORTEP diagram of atomic labelled molecules (4M1PMS and 4BPMS) with 50% probability were shown in figures 5(a) and (b). The bond length between C14=C15 is 1.312 (5) Å (4M1PMS) and C14=C15 (-CH=CH-) is 1.326(4) Å (4BPMS) [ figure 5] have good agreement with reported chalcone derivative materials [18][19][20][21][22]33].…”

Section: Single Crystal Xrdsupporting

confidence: 81%

“…The selection of materials in the present study has the type D-π-A-π-D. Similar type of molecules (methoxy and chlorothiophene substituted chalcone derivatives) are reported by us [21,22]. By changing/replacing the donor electron in the aromatic ring, 4M1PMS and 4BPMS have been synthesized successfully, crystallized by using solvent evaporation technique.…”

Section: Introductionmentioning

confidence: 68%

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A long-chain based bromo and methyl substituted chalcone derivatives; experimental and theoretical approach on nonlinear optical single crystals

Parol

Upadhyaya

Prabhu

et al. 2020

Mater. Res. Express

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In the present work, growth of single crystals of chalcone derivatives {4-[(1E)-3-(4-methylphenyl)-3oxoprop-1-en-1-yl]phenyl 4-methylbenzene-1-sulfonate} (4M1PMS) and {4-[(1E)-3-(4-bromophenyl)-3-oxoprop-1-en-1-yl]phenyl4-methylbenzene-1-sulfonate} (4BPMS), at room temperature is reported. The spectroscopic techniques are used to identify the presence of functional groups in the materials. The single-crystal XRD and powder XRD analysis reveals that 4M1PMS belongs to noncentrosymmetric (P2 2 2 1 1 1 ) and 4BPMS belongs to centrosymmetric P n 2 1 ( ) / crystalline system. The molecular structures exhibit C-HKO and π...π intermolecular interactions. From UV/VIS/NIR spectroscopic studies, it is found that both samples have bathochromic shifts in linear absorbance (cut-off region) spectra. The broad emission region involved in several sharp emission peaks in blue region, exhibits a blue light emission property, as observed from photoluminescence study, in both the samples. The thermal stability of the materials were studied by TGA/DTA techniques and crystals were thermally stable until the melting point. In NLO study, 4M1PMS crystal has shown SHG efficiency 2.2 times that of KDP crystal. In addition, electronic contribution in hyperpolarizability (first order and second order) tensors of both the compounds were computed theoretically by M06-2X functional at DFT level. The open/closed aperture Z-scan technique were performed to evaluate third order nonlinear optical materials by measuring experimental parameters such as nonlinear absorption/refraction and calculate second-order hyperpolarizability with corresponding third-order nonlinear optical susceptibility c 3 ( ) ( ) of 4M1PMS and 4BPMS. The surface damage threshold studies of 4M1PMS and 4BPMS were performed by Q-switched Nd:YAG laser at 532 nm.

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Section: Single Crystal Xrdsupporting

confidence: 81%

Section: Introductionmentioning

confidence: 68%

A long-chain based bromo and methyl substituted chalcone derivatives; experimental and theoretical approach on nonlinear optical single crystals

Parol

Upadhyaya

Prabhu

et al. 2020

Mater. Res. Express

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“…The molecular design is a crucial part for selection of nonlinear optical material and deeper understanding is necessary from the judicious choice with the strong donor/ acceptor electrons. In our earlier report, chlorothiophene (4TPMS)- [23] and 4-methoxy (4MPMS) [24]-substituted chalcone derivatives have been reported. Both 4TPMS and 4MPMS molecules are designed in such manner that both the ends contain donor electrons and at the center it has electron-withdrawing group, where charge transfer takes place through π-conjugation bridge.…”

Section: Introductionmentioning

confidence: 92%

“…The methoxy-based chalcone derivatives have good thermal stability and high laser damage threshold value as compared to other substitutional groups (-Cl, -Br, -F, NO 2 and -Me) in the aromatic ring. In our previous study, tosyloxy (aldehyde)-and methoxy (ketone)-based chalcone derivative (4MPMS) is reported [24]. In that, only one methoxy group is taken in a para position, the thermal stability and laser damage threshold value of the crystal is found to be 158 °C and 6.93 GW/cm 2 .…”

Section: Structure-property Relationmentioning

confidence: 97%

A third-order nonlinear optical single crystal of 3,4-dimethoxy-substituted chalcone derivative with high laser damage threshold value: a potential material for optical power limiting

Parol

Prabhu

Taher

et al. 2020

J Mater Sci: Mater Electron

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Third-order nonlinear optical material 4-[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]phenyl 4-methylbenzene-1-sulfonate (DMPMS) is crystallized by slow solvent evaporation technique. The crystal has inversion symmetry and belongs to monoclinic system with $${P2}_{1}/c$$ P 2 1 / c space group. The C–H⋯O/C–H⋯π intermolecular interactions will be large complementarity for molecular density/crystal packing. A comprehensive investigation for absorbance and emission properties has been performed. Thermal stability is up to 258 °C without any weight loss and calculated value of laser damage threshold is ≈ 12 GW/cm2. The DMPMS shows low dielectric constant value, about 4.42 at 1 MHz and electronic polarizability values in the order of $${10}^{-23}$$ 10 - 23 cm3. Furthermore, theoretical calculation has been performed using B3LYP and M06-2X functional. The static first-order hyperpolarizability parameter is 55 (B3LYP) and 34 (M06-2X) times that of urea. The total contribution of second-order hyperpolarizability is − 37.9 $$\times {10}^{-40 }\mathrm{esu}$$ × 10 - 40 esu (in B3LYP functional) and − 25.77 $$\times {10}^{-40 }\mathrm{esu}$$ × 10 - 40 esu (in M06-2X functional), respectively. Here, two-photon absorption mechanism is responsible for nonlinear absorption and co-efficient is found to be $$28.3 \times {10}^{-12}$$ 28.3 × 10 - 12 m/W. In optical limiting study, limiting threshold is found to be 65 µJ. The real and imaginary third-order nonlinear optical susceptibility is of the order $${10}^{-12} \mathrm{esu}$$ 10 - 12 esu .

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“…55,56 Moreover, the PL spectra show two other weak emission bands at l ¼ 359 nm and l ¼ 608 nm. The band at 359 nm corresponds to the near band edge (NBE) and deep level emission (DLE), 57 while the orange-red emission at l ¼ 608 nm can be attributed to intermolecular charge transfer (ICT) and p-p stacking in the dimer system. 58,59 The emission in the blue region l ¼ 420-500 nm reveals that the material has blue light emission properties, which can be utilized in a potential application, such as OLED materials, uorescent probes in biological applications, and biotags for biological sensing applications.…”

Section: Photoluminescence (Pl) Studymentioning

confidence: 99%

Liquid crystal behavior, photoluminescence and gas sensing: A new series of ionic liquid crystal imidazole and benzoimidazole bearing chalcone groups, synthesis and characterization

Mohammad

Abbas

2021

RSC Adv.

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Synthesis, growth and characterization of a long-chain π-conjugation based methoxy chalcone derivative single crystal; a third order nonlinear optical material for optical limiting applications

Cited by 52 publications

References 56 publications

A long-chain based bromo and methyl substituted chalcone derivatives; experimental and theoretical approach on nonlinear optical single crystals

A long-chain based bromo and methyl substituted chalcone derivatives; experimental and theoretical approach on nonlinear optical single crystals

A third-order nonlinear optical single crystal of 3,4-dimethoxy-substituted chalcone derivative with high laser damage threshold value: a potential material for optical power limiting

Liquid crystal behavior, photoluminescence and gas sensing: A new series of ionic liquid crystal imidazole and benzoimidazole bearing chalcone groups, synthesis and characterization

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