Intramolecular charge transfer-based linear and nonlinear optical properties of a D–π–A–π–D type organic chromophore: Experimental and computational approach

2021 ◽  
Author(s):  
Mohd Mehkoom ◽  
Abid Ali ◽  
Mohammad Jane Alam ◽  
Farman Ali ◽  
S. M. Afzal ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Nonlinear Optical ◽  
Continuous Wave ◽  
Intramolecular Charge Transfer ◽  
Theoretical Calculations ◽  
Nonlinear Refraction ◽  
Photon Absorption ◽  
Nonlinear Optical Susceptibility ◽  
Linear And Nonlinear ◽  
Organic Chromophore

In the sight of the present demand of scientific exploration in nonlinear optics (NLO), we synthesized a symmetric donor–[Formula: see text]–acceptor–[Formula: see text]–donor (D–[Formula: see text]–A–[Formula: see text]–D) type organic chromophore [2-[2,6-di((E)-styryl)]-4H-pyran-4-ylidene]malononitrile (M1) for linear and nonlinear optical studies. The structural character of the compound M1 was confirmed using 1H NMR, [Formula: see text]C NMR, and IR spectroscopy. The intramolecular charge transfer (ICT) in molecule M1 has been analyzed using absorption and fluorescence spectrometry in different nonpolar and polar solvents. The optical bandgap, optical conductivity, and linear refractive index of M1 were also calculated using UV–Vis absorption spectrum in CHCl3. The thermogravimetric analysis (TGA) was also carried out to check the thermal stability of the compound M1 and it was found to be thermally stable up to 200∘C. Furthermore, the third-order optical nonlinearity in M1 has been investigated elaborately using the [Formula: see text]-scan technique with a continuous wave (CW) diode laser at 520[Formula: see text]nm. The nonlinear absorption ([Formula: see text]), nonlinear refraction ([Formula: see text]), and nonlinear optical susceptibility ([Formula: see text]) were computed for various solution concentrations as well as several laser powers and the magnitude of all the parameters were found to vary linearly with concentration and power. The magnitude of two-photon absorption cross-section ([Formula: see text]) was also calculated and found to be of the order of 10[Formula: see text] GM. The optical limiting performance of the compound was also studied in different solution concentrations using the same laser. Furthermore, DFT and TD-DFT theoretical calculations were performed for the support of experimental results.

Two-photon absorption of styryl-quinolinium, -pyridinium, and -barbituric acid derivatives, and intramolecular charge transfer

2001 ◽  
Vol 79 (2) ◽  
pp. 174-182 ◽  
Author(s):  
XiaoMei Wang ◽  
Chun Wang ◽  
WenTao Yu ◽  
YuFang Zhou ◽  
Xian Zhao ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Charge Transfer ◽  
Barbituric Acid ◽  
Intramolecular Charge Transfer ◽  
Theoretical Calculations ◽  
Photon Absorption ◽  
Amino Groups ◽  
Element Analysis ◽  
Two Photon Absorption ◽  
Two Photon

A series of new chromophores, styryl-parent end-capped with various donors, and with barbituric acid, methyl-pyridinium, and methyl-quinolinium as the acceptors, have been synthesized and characterized by element analysis or X-ray diffraction. Using the Z-scan system, their two-photon absorption (TPA) cross-section values (δ) have been determined under excitation with 10 Hz, and 1064 nm, 35 ps mode-locked Nd:YAG laser pulse in DMF with do= 0.05 M. The effective δ value is as high as 10.9 × 10–48 cm4 s per photon for trans-4-(4'-N,N-diphenyl amino) styryl-N-methyl quinolinium iodide (DPASQI). The δ value increases from barbituric acid- to pyridinium- to quinolinium-derivatives apparently due to the increase in both the conjugated degree and planarity; however, when the acceptor is fixed, the δ value increases from dialkyl amino groups to diphenyl amino groups even though the latter is a weaker donor than the dialkyl amino groups. Theoretical calculations confirm that the increased distortion from planarity for the barbituric acid derivative makes its δ value decrease. The relatively large δ value for quinolinium- or pyridinium-derivatives originates from larger intramolecular charge transfer, which can be characterized by the difference of dipole moment (Δµge) between the S0 and S1, and the transition dipole moment (Mee') between S1 and S2.Key words: two-photon absorption, intramolecular charge transfer, styryl-quinolinium, styryl-pyridinium, styryl-barbituric acid.

scholarly journals Imidazole as a parent π-conjugated backbone in charge-transfer chromophores

2012 ◽  
Vol 8 ◽  
pp. 25-49 ◽  
Author(s):  
Jiří Kulhánek ◽  
Filip Bureš
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Nonlinear Optical ◽  
Intramolecular Charge Transfer ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Research Activities ◽  
Prospective Application ◽  
Pull Systems ◽  
Linear And Nonlinear

Research activities in the field of imidazole-derived push–pull systems featuring intramolecular charge transfer (ICT) are reviewed. Design, synthetic pathways, linear and nonlinear optical properties, electrochemistry, structure–property relationships, and the prospective application of such D-π-A organic materials are described. This review focuses on Y-shaped imidazoles, bi- and diimidazoles, benzimidazoles, bis(benzimidazoles), imidazole-4,5-dicarbonitriles, and imidazole-derived chromophores chemically bound to a polymer chain.

Effect of intramolecular charge transfer on nonlinear optical properties of chalcone derivatives: a visual description of the charge transfer process

2021 ◽  
Author(s):  
Jidong Jia ◽  
Xingzhi Wu ◽  
Xueru Zhang ◽  
Yuxiao Wang ◽  
Junyi Yang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Nonlinear Optical ◽  
Organic Molecules ◽  
Intramolecular Charge Transfer ◽  
Photon Absorption ◽  
Charge Transfer Process ◽  
Nlo Properties ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Visual Description

Intramolecular charge transfer (ICT) is an important factor in the nonlinear optical (NLO) properties of organic molecules. In order to study the effect of ICT on two-photon absorption (TPA) and...

scholarly journals Tunable Nonlinear Optical Property of MnS Nanoparticles with Different Size and Crystal Form

Nanomaterials ◽  
2019 ◽  
Vol 10 (1) ◽  
pp. 34
Author(s):  
Zhihao Zhang ◽  
Pengchao Li ◽  
Yuzong Gu
Keyword(s):  
Optical Property ◽  
Nonlinear Optical ◽  
Nonlinear Optical Property ◽  
Nonlinear Refraction ◽  
Synthesis Method ◽  
Crystal Form ◽  
Optical Nonlinearity ◽  
Photon Absorption ◽  
Third Order ◽  
Crystal Forms

It is significant to study the reason that semiconductor material has adjustable third-order optical nonlinearity through crystal form and dimensions are changed. αMnS nanoparticles with different crystal forms and sizes were successfully prepared by one-step hydrothermal synthesis method and their size-limited third-order nonlinear optical property was tested by Z-scan technique with 30 ps laser pulses at 532 nm wavelength. Nanoparticles of different crystal forms exhibited different NLO (nonlinear optical) responses. γMnS had stronger NLO response than αMnS because of higher fluorescence quantum yield. Two-photon absorption and the nonlinear refraction are enhanced as size of nanoparticlesreduced. The nanoparticles had maximum NLO susceptibility which was 3.09 × 10−12 esu. Susceptibility of αMnS increased about nine times than that of largest nanoparticles. However, it was reduced when size was further decreased. This trend was explained by the effects of light induced dipole moments. And defects in αMnS nanoparticles also had effect on this nonlinear process. MnS nanoparticles had potential application value in optical limiting and optical modulation.

scholarly journals Tuning of Hyperpolarizability, One- and Two-Photon Absorption of D-A and D-A-A Type Intramolecular Charge Transfer Based Sensors

2019 ◽  
Author(s):  
Pralok K. Samanta ◽  
Md Mehboob Alam ◽  
Ramprasad Misra ◽  
Swapan K. Pati
Keyword(s):  
Charge Transfer ◽  
Gas Phase ◽  
Density Functional ◽  
Intramolecular Charge Transfer ◽  
Photon Absorption ◽  
First Hyperpolarizability ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Nlo Response ◽  
Donor Acceptor

Solvents play an important role in shaping the intramolecular charge transfer (ICT) properties of π-conjugated molecules, which in turn can affect their one-photon absorption (OPA) and two-photon absorption (TPA) as well as the static (hyper)polarizabilities. Here, we study the effect of solvent and donor-acceptor arrangement on linear and nonlinear optical (NLO) response properties of two novel ICT-based fluorescent sensors, one consisting of hemicyanine and dimethylaniline as electron withdrawing and donating groups (molecule 1), respectively and its boron-dipyrromethene (BODIPY, molecule 2)-fused counterpart (molecule 3). Density functional theoretical (DFT) calculations using long-range corrected CAM-B3LYP and M06-2X functionals, suitable for studying properties of ICT molecules, are employed to calculate the desired properties. The dipole moment (µ) as well as the total first hyperpolarizability (β<sub>total</sub>) of the studied molecules in the gas phase is dominantly dictated by the component in the direction of charge transfer. The ratios of vector component of first hyperpolarizability (β<sub>vec</sub>) to β<sub>total</sub> also reveal unidirectional charge transfer process. The properties of the medium significantly affect the OPA, hyperpolarizability and TPA properties of the studied molecules. Time dependent DFT (TDDFT) calculations suggest interchanging between two lowest excited states of molecule 3 from the gas phase to salvation. The direction of charge polarization and dominant transitions among molecular orbitals involved in the OPA and TPA processes are studied. The results presented are expected to be useful in tuning the NLO response of many ICT-based chromophores, especially those with BODIPY acceptors.<br>

Light-matter Interaction Under Intense Field Conditions: Nonlinear Optical Properties of Metallic-dielectric Nanostructures

2019 ◽  
Vol 4 (1) ◽  
pp. 51-62
Author(s):  
Enza Fazio ◽  
Luisa D'Urso ◽  
Rosalba Saija ◽  
Saveria Santangelo ◽  
Fortunato Neri
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Nonlinear Refraction ◽  
Optical Limiting ◽  
Nonlinear Optical Properties ◽  
Hybrid Nanostructures ◽  
Field Conditions ◽  
Photon Absorption ◽  
Noble Metal Nanoparticles ◽  
Intense Field

Background: Metallic–dielectric plasmonic nanoparticles have recently aroused great interest in view of many and novel technological applications, based on the interaction between light and matter under intense field conditions, in nonlinear integrated photonics and opto-fluidics, thanks to the possibility of tuning their electronic and optical properties through a fine control of the synthesis parameters and their nanoparticles under a high-power laser, like the one used during z-scan measures. Objective: The goal of this work is the study of nonlinear optical properties (as nonlinear refraction, scattering, two-photon absorption, optical limiting) of colloids synthesized in different liquid media by Pulsed laser ablation in liquids (PLAL), which is a photo-assisted synthesis technique ensuring the formation of stable, contaminant-free colloids directly during the ablation process. Methods: Noble metal nanoparticles, metal oxides hybrid nanostructures and silicon-based nanomaterials, were prepared by nanosecond and picosecond PLAL technique, in different media. The third-order nonlinear optical (NLO) properties have been studied by the use of a single beam z-scan technique with Q-switched frequency doubled Nd:YAG laser (λ=532 nm) at 5 ns pulse. Results: 1) A good stability of the PLAL nanocolloids under a high laser power; 2) the limiting threshold reduction inducted by the Ag-Au nanoparticles, the increase of the NLO absorption coefficient β, the reduction of the transmittance/scattering signal and the presence of a pronounced asymmetry of the peak/valley profile of the metal decorated metal oxide nanomaterials compared to the separately produced components. Conclusion: An intriguing coupling between the nature of the optical limiting response and the nanostructures rearrangement upon intense field conditions, explaining z-scan data by a classical approach able to account for the nanoparticles asymmetry and plasmonic effects, are the main results found.

Linear and Nonlinear Optical Properties of Ramified Hexaazatriphenylenes: Charge Transfer Contributions to the Octupolar Response

2012 ◽  
Vol 117 (1) ◽  
pp. 626-632 ◽  
Author(s):  
María Moreno Oliva ◽  
Rafael Juárez ◽  
Mar Ramos ◽  
José L. Segura ◽  
Stijn van Cleuvenbergen ◽  
...  
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
Linear And Nonlinear

Diagnosis of Fatty Liver Disease by a Bright, Multiphoton-Active and Lipid-Droplet-Specific AIEgen with Nonaromatic Rotors

2020 ◽  
Author(s):  
Hojeong Park ◽  
Shijie Li ◽  
Guangle Niu ◽  
Haoke Zhang ◽  
Zhuoyue Song ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Liver Disease ◽  
Fatty Liver ◽  
Lipid Droplet ◽  
Fatty Liver Disease ◽  
Intramolecular Charge Transfer ◽  
Stokes Shift ◽  
Transfer Effect ◽  
Photon Absorption ◽  
Two Photon

Fatty liver disease (FLD) has become an increasing global health risk. However, an accurate diagnosis of FLD at an early stage remains a great challenge due to lack of suitable imaging tools. To this end, we developed the first fluorescent two-photon aggregationinduced emission (AIE) luminogen ABCXF for high-contrast imaging of FLD tissue. ABCXF has a large Stokes shift, good two-photon absorption cross-section, bright red emission, high fluorescence quantum yield in solid state, and excellent photostability. It shows abnormal intramolecular charge transfer effect instead of twisted intramolecular charge transfer effect in polar solvents. Photophysical and crystal data demonstrated that it exhibits nonaromatic rotors - trifluoromethyto contribute to its AIE effect. Biocompatible lipid droplet-targeting ABCXF can selectively light up lesions in the FLD tissue with a high signal-to-noise ratio. It shows superior imaging performances compared to Oil Red O. Thus, ABCXF can be a powerful tool for the diagnosis and evaluation of FLD from a liver biopsy.

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