- 标题
- 摘要
- 关键词
- 实验方案
- 产品
-
Structure and property relationship of methoxy substituted novel organic crystals for photonic applications
摘要： In the present work, a promising non-centrosymmetric chalcone derivative 3-(2, 4, 6-trimethoxyphenyl)-1-(thiophen-2-yl)-prop-2-en-1-one (2TM) was investigated to define their potential for photonic applications through various characterization techniques. Therefore 2TM has been synthesized and single crystals have been grown using slow evaporation solution growth technique. The UV–Vis-NIR spectrum reveals the transparency of the crystal for the entire visible region. The thermal stability and phase transition of the compound was studied by thermo gravimetric and differential thermal analysis and found to be stable up to 132 °C. For structural conformation, the Fourier transform infrared spectral tests were performed on 2TM. For nonlinear optical studies of the third order, the Z-scan experiment was conducted. The material had reverse saturation absorption and self-defocusing properties and therefore, 2TM showed strong nonlinear absorption coefficients and optical limiting behavior, under continuous wave diode-pumped solid state laser. Second harmonic generation efficiency of 2TM crystal is 1.12 times the urea efficiency. The single crystal x-ray diffraction studies of the crystal showed that the crystal system of 2TM is orthorhombic with space group P n a 21. The structural and property relationship studies are carried out for the methoxy substituted organic crystals. Thus, the reported crystal can be used for photonic applications due to its excellent optical properties.
关键词： Single crystal,Chalcones,Z-scan,Second harmonic generation,Structure–property relationship
更新于2025-09-19 17:13:59
-
Pyrene Based NLOphoric D‐π‐A‐π‐D Coumarin‐Chalcone and Their Red Emitting OBO Difluoride Complex: Synthesis, Solvatochromism, Z‐scan, and Detailed TD‐DFT Studies
摘要： NLOphoric D-π-A-π-D coumarin chalcone 5 and their BF2 complex 6 were designed, synthesized and characterized through Mass,13C-NMR, and 1H-NMR analysis. Their Photophysical properties are extensively studied in solvents of different polarity. On BF2 complexation of coumarin chalcone shows highly red shift in absorption and emission spectra compared to uncomplexed coumarin chalcone. Positive solvatochromism observed which is well supported by linear and multilinear regression analysis. For BF2 complexed coumarin-chalcone 6 the solvent dipolarity (CSdP) is the main factor responsible for slightly red shift in absorption spectra, and also for the highly red-shift in emission spectra. Frontier molecular orbital, molecular electrostatic potential and Generalized Mulliken-Hush analysis revealed intramolecular charge transfer in these compounds. Nonlinear optical (NLO) properties for compounds 5 and 6 were studied by solvatochromic and computational method. The linear polarizability (α), first-order hyperpolarizability (β) and second-order hyperpolarizability (γ) of compounds were studied by the time dependent density functional theory using three different functionals namely B3LYP, BHHLYP and CAM(cid:0) B3LYP with the 6–31 G (d) basis set. BF2 complexed compound 6, show higher values for αe + αv as well as βe+βv compared to compound 5. Third order nonlinear optical susceptibility (χ(3)) of these compounds obtained by Z-scan analysis. Third-order (χ(3)) non-linear optical properties of BF2 complexed coumarin-chalcone 6 were observed to be several times higher than those of the uncomplexed coumarin-chalcone 5 these justify the design approach.
关键词： NLOphoric,Z-Scan,positive solvatochromism,pyrene-chalcones,TD-DFT,solvatochromic NLO
更新于2025-09-11 14:15:04
-
Second and third order nonlinear optical studies of a novel thiophene substituted chalcone derivative
摘要： A noncentrosymmetric chalcone derivative (E)-1-(thiophen-2-yl)-3-(3, 4, 5-trimethoxyphenyl) prop-2-en-1-one (TTMP) was synthesized using Claisen Schmidt condensation approach and single crystals were grown using slow evaporation method. The grown TTMP crystals crystallises in orthorhombic structure with Pna21 space group. The intermolecular interactions of the TTMP crystals were envisioned by Hirshfeld surface analysis (HSA). Further, the structural conformations of the crystal were carried out by using 1H NMR, FTIR and FT-Raman spectral analysis. The UV-Vis-NIR spectrum of the sample clearly shows the prime transparency in the entire visible and near infrared region. Thermal studies (TG/DTA/DSC) of the TTMP sample shows excellent thermal stability and phase transition and also noticed that crystal was most stable up to 152.65 0C. The second harmonic generation efficiency was obtained for the crystals using Nd:YAG laser and is to be 1.93 times that of urea . The third order nonlinear absorption coefficient (β), nonlinear refractive index (n2), third-order nonlinear susceptibilities (χ (3)), second order hyper polarizability (γh) and optical limiting thresholds were determined by Z-scan technique using the Diode-Pumped Solid State (DPSS) Continuous Wave (CW) laser. The results suggest that the TTMP molecules are promising materials for optoelectronic device applications.
关键词： Hirshfeld surfaces,Optical limiting,SHG,Z-scan,Single crystal,Chalcones
更新于2025-09-09 09:28:46