Application In Organic Light-emitting Diodes Research Articles

1,8-diphenyl-carbazole-based boron, sulfur-containing multi-resonance emitters with suppressed aggregation emission for narrowband OLEDs

Multi-resonance emitters are attractive for organic light-emitting diode (OLED) applications because of their narrowband emissions and high photoluminescent efficiencies. Nevertheless, their tendency to aggregation by intermolecular interactions could cause doping sensitivity and reduce color purity at high concentrations. Here, we report a novel boron, sulfur (B, S)-containing multi-resonance emitter (BSS-Ph-TBCz) consisting of 1,8-diphenyl-carbazole substituent at para-position of boron atom of B, S-doped polycyclic aromatic skeleton. Different from control compound (BSS-TBCz) containing conventional carbazole substituents showing aggregation-caused spectral broadening, BSS-Ph-TBCz with 1,8-diphenyl-carbazole group exhibits weak intermolecular aggregation behavior owing to the large twist angle between polycyclic skeleton and carbazole plane caused by two steric phenyl groups on carbazole group, leading to nearly unchanged emissions with small full width at half-maximum of 30–31 nm at doping concentration ranging from 1 to 100 wt%. OLEDs employing BSS-Ph-TBCz as emitter reveal blue electroluminescence at 468 nm and maximum external quantum efficiency of 21.4% at 5 wt% doping concentration, which remains at 20.1% at high doping concentration of 25 wt%.

Synthesis, tuning of photophysical and electrochemical properties of Yellow-Red emissive, AIEE active benzamide dyes

Herein, Benzamide-based dyes were prepared by the multistep synthetic method and then characterized by various spectroscopic methods. The tuning in photophysical, aggregation-induced emission enhancement (AIEE) and electrochemical properties with alteration in molecular structure of dyes were studied in detail. Molecules possess weak push–pull interaction due to the existence of inbuilt charge transfer (CT) transition at 366–387 nm in absorption spectra. Dyes emit in yellow to red region with emission maxima at 560–599 nm in solution and 548–600 nm in the solid state. The notable positive solvatochromic effect and good Stoke’s shift (9004–9717 cm−1) observed in dyes. Additionally, the existence of good solid-state emission and AIEE activity is desirable for its solid/aggregate state application in Organic light-emitting diodes. Besides, HOMO (−5.60 to − 5.74 eV) and LUMO (−3.14 to − 3.17 eV) energy levels comparable with reported ambipolar materials. Density functional theory (DFT) and time-dependent density-functional theory (TDDFT) calculations agree with the experimental photophysical and electrochemical data. The opto-electrochemical properties possessed by dyes undersign its suitable use in various optoelectronic applications.

A Diboron-Based Thermally Activated Delayed Fluorescent Material for Versatile Applications of Organic Light-Emitting Diodes

A Diboron-Based Thermally Activated Delayed Fluorescent Material for Versatile Applications of Organic Light-Emitting Diodes

New green emitters based on push-pull type pyrene substituted cyanopyridones: Design strategies and utilization in organic light-emitting diodes

A novel series of D-A-D type conjugated dyes (Py-CyP1-7) centred on a strongly electron-withdrawing cyanopyridone scaffold (A) linked to highly electron-donating pyrene unit (D) and varied auxiliary donors (D) were designed and synthesized, for applications in green organic light-emitting diodes (OLEDs). All the hybrids were systematically subjected to theoretical, optical, electrochemical, and thermal studies to validate their efficiency in behaving as green emitters. Finally, we employed the dyes as sole and dopant emitters in OLEDs. The OLED with 3 wt % Py-CyP4 in the CBP host shows maximum efficiencies of 14.38 cd A−1, 12.04 lm W−1, and 5.91%.

Theoretical investigation of new series diphenylsulfone derivatives suitable candidates for organic light-emitting diodes (OLEDS) applications

Theoretical investigation of new series diphenylsulfone derivatives suitable candidates for organic light-emitting diodes (OLEDS) applications

Highly Twisted TADF Molecules and Their Applications in OLEDs.

Thermally activated delayed fluorescence (TADF) materials have attracted great potential in the field of organic light-emitting diodes (OLEDs). Among thousands of TADF materials, highly twisted TADF emitters has become a hotspot in recent years. Compared with traditional TADF materials, highly twisted TADF emitters tend to show multi-channel charge transfer characters and form rigid molecular structures. This is advantageous for TADF materials as non-radiative decay processes can be suppressed to facilitate efficient exciton utilization. Accordingly, OLEDs with excellent device performances have also been reported. In this review, we have summarized the recent progress of highly twisted TADF materials and related devices, and overviewed the molecular design strategies, photophysical studies and the performances of OLED devices. In addition, the challenges and perspectives of highly twisted TADF molecules and relative OLEDs are also discussed.

Spirally Configured cis-Stilbene/fluorene (STIF), 10,11-Benzo-, and Imidazole-fused STIF Hybrids as Electron-Transporting Materials for Organic Light-Emitting Diode Applications.

A new class of cis-stilbene/fluorene (STIF) and 10,11-benzo- and imidazole-fused dibenzosuberane/fluorene (Bz-STIF and Imd-STIF) spiro hybrid systems with paired cyanophenyl, pyridyl, and/or pyrimidyl units was synthesized as electron transporting materials (ETMs) for blue fluorescent OLEDs (FOLEDs) and phosphorescent organic light emitting diodes (PhOLEDs). Their photophysical (UV-Vis absorption and emission), electrochemical (Eox /Ered ), morphological (glassy transition temperature, Tg ), and thermal stability (decomposition temperature, Td ) properties are systematical compared. Their correlations regarding the effects of the fused unit/substituent(s) in the STIF core on the morphological/thermal stability, HOMO/LUMO energy level, π-electron distribution profiles by DFT calculations, and electron mobility are established. Blue FOLEDs are fabricated by using them and TmPyPB (a control) as ETMs. The effects of their LUMO energy levels and electron mobilities on the device turn-on voltage, performance efficiencies including external quantum efficiency/current efficiency (EQE/CE), power efficiency (PE), and device lifetime at 5% luminescence decay (T95 ) are correlated. Among them, three best ETMs and TmPyPB (a control) are selected for further green and blue PhOLED fabrications. The effects of their LUMO energy levels and electron mobilities on the device turn-on voltage and performance efficiencies are confirmed, allowing for potential commercial applications.

Tröger's Base-Derived Thermally Activated Delayed Fluorescence Dopant for Efficient Deep-Blue Organic Light-Emitting Diodes.

The development of efficient deep-blue emitters with thermally activated delayed fluorescence (TADF) properties is a highly significant but challenging task in the field of organic light-emitting diode (OLED) applications. Herein, we report the design and synthesis of two new 4,10-dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine (TB)-derived TADF emitters, TB-BP-DMAC and TB-DMAC, which feature distinct benzophenone (BP)-derived acceptors but share the same dimethylacridin (DMAC) donors. Our comparative study reveals that the amide acceptor in TB-DMAC exhibits a significantly weaker electron-withdrawing ability in comparison to that of the typical benzophenone acceptor employed in TB-BP-DMAC. This disparity not only causes a noticeable blue shift in the emission from green to deep blue but also enhances the emission efficiency and the reverse intersystem crossing (RISC) process. As a result, TB-DMAC emits efficient deep-blue delay fluorescence with a photoluminescence quantum yield (PLQY) of 50.4% and a short lifetime of 2.28 μs in doped film. The doped and non-doped OLEDs based on TB-DMAC display efficient deep-blue electroluminescence with spectral peaks at 449 and 453 nm and maximum external quantum efficiencies (EQEs) of 6.1% and 5.7%, respectively. These findings indicate that substituted amide acceptors are a viable option for the design of high-performance deep-blue TADF materials.

Realization of an autonomously controllable process for atomic layer deposition and its encapsulation application in flexible organic light-emitting diodes.

Atomic layer deposition (ALD), an emerging method of thin film fabrication, has recently witnessed a surge of applications in the optoelectronics field. However, reliable processes capable of controlling film composition have yet to be developed. In this work, the effect of precursor partial pressure and steric hindrance on the surface activity was presented and analyzed in detail, which led to the development of a component tailoring process for ALD composition control in intralayer for the first time. Further, a homogeneous organic/inorganic hybrid film was successfully grown. The component unit of the hybrid film under the joint action of EG and O plasma could achieve arbitrary ratios by controlling the EG/O plasma surface reaction ratio via varied partial pressures. Film growth parameters (growth rate per cycle and mass gain per cycle) and physical properties (density, refractive index, residual stress, transmission, and surface morphology) could be modulated as desired. Moreover, the hybrid film with low residual stress was effectively used in the encapsulation of flexible organic light-emitting diodes (OLEDs). Such a component tailoring process is an important step forward in ALD technology, and allowing for in-situ control of thin film components at the atomic level in intralayer.

Engineering Isomeric AIEgens Containing Tetraphenylpyrazine for Dual Memory Storage.

Tetraphenylpyrazine (TPP) is a promising heterocycle-based aggregation-induced emission luminogen (AIEgen) which has sparked multiple applications in organic light-emitting diodes, sensors, and biotherapy. However, the utility of it in developing information storage materials is relatively rare. Moreover, TPP is mostly employed as an electronic acceptor in molecular design, while the consideration of it as an electronic donor is attractive in studies which may provide a full understanding of its property to tailor the materials. In this work, we synthesize three TPP-based molecules by decorating it with acrylonitrile and isomeric pyridine units, which show AIE behavior by property inheritance from their parent unit. Interestingly, the effective intramolecular charge transfer takes place from the TPP electronic donor to the acrylonitrile and pyridine electronic acceptor, therefore inducing a remarkable solvatochromic effect as the solvent polarity improves. Moreover, it is revealed that the isomeric effect of the nitrogen atom in the pyridines may pose an influence on the absorption, solvatochromism, and AIE behavior. In addition, the acrylonitrile and pyridine groups are reactive to light and acid-base stimuli with irreversible and reversible responses, respectively. Combined with the high light-harvesting ability of these AIEgens, they show great potential in the stimuli-responsive materials for dual information storage.

Multi-Resonance Building-Block-Based Electroluminescent Material: Lengthening Emission Maximum and Shortening Delayed Fluorescence Lifetime.

Multi-resonance thermally activated delayed fluorescence (MR-TADF) materials are considered a class of organic materials with exceptional electronic and optical properties, which make them promising for the applications in organic light-emitting diodes (OLEDs). In this study, we improved, synthesized, and characterized a multiple-resonance type emitter based on the assembly of MR-building blocks (MR-BBs). By optimizing the geometric arrangement of MR-BBs, we were able to generate narrowband emission in the longer wavelength region and shorten the delayed excited-state lifetime, resulting in improved emission efficiency compared to the parent molecule. Our proof-of-concept molecule, m-DBCz, exhibited narrowband yellowish-green TADF emission with a full width at half-maximum of 32 nm and a small singlet-triplet energy gap of 0.04 eV. The OLED developed using m-DBCz as the emitter demonstrated electroluminescence at 548 nm and achieved a high external quantum efficiency (EQE) of 34.9 %. Further optimization of the device resulted in a high external quantum efficiency of 36.3 % and extremely low efficiency roll-off, with EQE values of 30.1 % and 27.7 % obtained even at high luminance levels of 50 000 and 100 000 cd m-2 . These results demonstrate the full potential of MR-TADF materials for applications on ultrahigh-luminance OLEDs.

Effect of donor/acceptor on the charge transfer and exciton harvest of pyrene-phenanthroimidazole dyads

Designing blue emitters with polyaromatic hydrocarbons such as anthracene and pyrene is more challenging as their derivatives are prone for aggregation caused emission quenching. We report herein three new pyrene-based deep blue emitting materials containing phenanthroimidazole moiety and a diphenylamine donor or cyano acceptor. Though the absorption of the compounds is similar, the emission were altered by the peripheral unit, due to the modulation in the donor-acceptor interaction and the intramolecular charge transfer (CT) in the excited state. The solvatochromic emission data indicated the presence of hybridized local and CT excited state for the parent core and its diphenylamine derivative. However, the cyano derivative inherits more CT characteristics. Additionally, all the dyes were found to exhibit acidochromism due to the facile interaction of phenanthroimidazole moiety with the acid. All the dyes were used for organic light-emitting diodes (OLED) applications with tris(4-carbazoyl-9-ylphenyl)amine (TCTA) host material, which exhibited deep blue or cyan-blue color electroluminescence with high external quantum efficiency. The device consisting of a dye with parent core as a dopant in TCTA host exhibited highest external quantum efficiency (EQE) of 7.5% with current efficiency 3.3 cd/A and luminance 2734 cd/m2 attributable to the effective utilization of excitons harvested through the HLCT channel.

Realization of Pyreno[4,5-d]imidazole-based HLCT emissions through tuning the energy level of the charge-transfer state

Organic light-emitting diodes (OLEDs) have lately been used in tablet displays, for instance in mobile phones and televisions, and are considered to be the next generation of displays and solid-state lighting due to their light weight, high flexibility, and energy efficiency. Hybridized local and charge-transfer (HLCT) excited state fluorophores, capable of making full use of excitons by reverse intersystem crossing from high-lying triplet states to singlet states, have drawn increasing attention in OLED applications. The HLCT state can be efficiently achieved by constructing D-π-A type molecules, whose characteristics of their excited state are widely influenced by the difference of torsion angles between donor (D) and acceptor (A). Herein, pyreno[4,5-d]imidazole and triphenylamine were selected as the electron acceptor and electron donor, respectively. Based on this molecular design, two D-π-A type molecules, pTPA-PyI and mTPA-PyI were designed and synthesized with different torsion angles between D and A. In addition, the introduction of fluorine atoms in molecules could provide more and stronger charge transfer (CT) state components into the excited states of the molecule, which could facilitate the formation of HLCT states with improving exciton utilization of the molecule. As a result, pTPA-PyI with linear molecular geometry possessed HLCT properties, which could achieve a large yield of singlet exciton formation. The non-doped pTPA-PyI-based OLED demonstrated steady blue emission with a peak at 460 nm and CIE coordinates of (0.15, 0.20). The highest current efficiency was 7.7 cd A−1, the maximum brightness was 48637 cd m−2, and the external quantum efficiency (EQE) was 6.38%. When the brightness was 1000 cd m−2, the efficiency roll-off was incredibly low as 0.6%, yet the EQE of 6.34% was still achievable. Additionally, it possesses a high exciton-utilization efficiency of up to 97%. However, the locally excited (LE) and CT states of mTPA-PyI could not sufficiently hybridize due to its larger torsion angle between D and A with the smaller dipole moment and the interrupted conjugation structure of the molecule which led to high energy level of CT state. As a result, by altering the torsion angle between D and A, it is feasible to change the constituents and levels of the LE and CT states in order to actualize the HLCT feature.

Constructing high-efficiency aggregation-induced delayed fluorescence molecules and OLEDs applying C-H···N hydrogen bond manipulation strategy

Thermally activated delayed fluorescent materials with aggregation-induced emission (AIE) feature have shown great potential applications in organic light-emitting diodes (OLEDs). In this work, three donor-acceptor molecules including PM-DMSFAC, Trz-DMSFAC, and PYPM-DMSFAC were constructed using dimethyl spiro-fluorene acridine as electron donor, while pyrimidine, triazine, and pyrimidine-pyridine hybrid groups with multiple C–H···N hydrogen bonds were respectively chosen as the acceptor units. There is a large dihedral angle between donor and acceptor, which facilitates the three molecules with efficient reverse intersystem crossing, and meanwhile the large steric hindrance endows them with AIE property. In comparison with PM-DMSFAC, an extra nitrogen atom is added in Trz-DMSFAC and PYPM-DMSFAC, making them more electronegative and exhibiting more intramolecular and intermolecular C–H···N interactions, which result in more stable molecular structures and higher PLQYs. When adopted to construct OLEDs, Trz-DMSFAC and PYPM-DMSFAC devices exhibit significantly improved efficiency. Importantly, Trz-DMSFAC afforded the best device performances with a maximum external quantum efficiency of 21.7% for non-doped OLED and 32.6% for doped device.

Precisely Slight Regulation of Emission Maxima and Construction of Highly Efficient Electroluminescent Materials with High Color Purity.

Advanced multiple resonance induced thermally activated delayed fluorescence (MR-TADF) emitters have emerged as a privileged motif for applications in organic light-emitting diodes (OLEDs), because they furnish highly tunable bandgap with emission ranges spanning the visible light region, and have the intrinsic properties of outstanding TADF characteristics and high color purity emission. One of the typical construction paradigms of MR-TADF molecule is based on polycyclization of MR parent core and a representative target model molecule BN-TP has been prepared. Herein, based on the unique nitrogen-atom embedding molecular engineering (NEME) strategy, a series of congeners of BN-TP, namely BN-TP-Nx (x = 1, 2, 3, 4), have been customized. The nitrogen-atom anchored at different position of triphenylene hexagonal lattice entails varying degrees of perturbation to the electronic structure. The newly-constructed emitters have demonstrated the precisely slight regulation of emission maxima of MR-TADF emitters to meet the actual industrial demand, and further enormously enriched the MR-TADF molecular reservoir. The BN-TP-N3-based OLED exhibits ultrapure green emission, with peak of 524 nm, full-width at half-maximum (FWHM) of 33 nm, Commission Internationale de L'Eclairage (CIE) coordinates of (0.23, 0.71), and maximum external quantum efficiency (EQE) of 37.3%.

Theoretical studies on spiro[acridine-fluorene]-based emitters with efficient thermally activated delayed fluorescence

Thermally activated delayed fluorescence (TADF) emitters with through space charge transfer (TSCT) have been attracting great attention owing to their unique characteristics and potential applications in organic light-emitting diodes. In this study, five TSCT TADF emitters based on spiro[acridine-fluorene] donor have been investigated in detail using density functional theory (DFT) and time-dependent DFT calculations. The results indicate that five emitters exhibit cofacial orientations between acridine donor and acceptor units, leading to the well-separated HOMO and LUMO and small singlet-triplet energy gaps (ΔEST) (less than 0.20 eV). The lowest singlet excited state (S1) and lowest triplet excited state (T1) are characterized to be the mixed charge transfer (CT) and local excitation (LE) natures, which ensures strong oscillator strength of S1 state and triggers high radiative rates over 106s-1. Importantly, the obvious differences in the CT component between S1 and T1 states lead to significantly strong spin-orbit coupling, especially for SAF-XT, SAF-Q and SAF-Qx, reaching 3.93, 2.17, and 4.26 cm−1, respectively, resulting in high reverse intersystem crossing (RISC) rates up to 4.4 × 106s-1, which endow them with great potential to be efficient TSCT-TADF emitters. Our calculation results would be beneficial to enriching the TSCT-TADF emitters.

Benzoxazole-Based Hybridized Local and Charge-Transfer Deep-Blue Emitters for Solution-Processable Organic Light-Emitting Diodes and the In fluences of Hexahydrophthalimido.

Hybridized local and charge-transfer (HLCT) emitters have attracted extensive attention, but the insolubility and severe self-aggregation tendency restrict their applications in solution-processable organic light-emitting diodes (OLEDs), particularly deep-blue OLEDs. Herein, two novel benzoxazole-based solution-processable HLCT emitters (BPCP and BPCPCHY) are designed and synthesized, in which benzoxazole acts as an acceptor, carbazole acts as a donor, and hexahydrophthalimido (HP, with a large intramolecular torsion angle and spatial distortion characteristics) acts as a bulky modified end-group with weak electron-withdrawing effects. Both BPCP and BPCPCHY exhibit HLCT characteristics and emit near ultraviolet in toluene at 404 and 399 nm. Compared to the BPCP, the BPCPCHY solid shows much better thermal stability (Tg, 187 vs 110 °C), higher oscillator strengths of the S1-to-S0 transition (0.5346 vs 0.4809), and faster kr (1.1 × 108 vs 7.5 × 107 s-1) and thus a much higher ΦPL in the neat film. The introduction of HP groups greatly suppresses the intra-/intermolecular charge-transfer effect and self-aggregation trends, and the BPCPCHY neat films placed in air for 3 months can still maintain an excellent amorphous morphology. The solution-processable deep-blue OLEDs utilizing BPCP and BPCPCHY achieved a CIEy of 0.06 with maximum external quantum efficiency (EQEmax) values of 7.19 and 8.53%, respectively, which are among the best results of the solution-processable deep-blue OLEDs based on the "hot exciton" mechanism. All of the above results indicate that benzoxazole is an excellent acceptor for constructing deep-blue HLCT materials, and the strategy of introducing HP as a modified end-group into an HLCT emitter provides a new perspective to develop solution-processable efficient deep-blue OLEDs with high morphological stability.

Fluoro substitution effect on 2,1,3-benzothiadiazole-based hybridized local and charge transfer state fluorophores for high-performance organic light-emitting diodes

Fluoro substitution of organic semiconductors is an effective way to improve some related performance of the materials, such as the carrier mobility in organic photovoltaics (OPVs) and organic field-effect transistors (OFETs) applications. However, the influence of fluoro substitution for fluorophores in organic light-emitting diodes (OLEDs) applications is rarely reported. Here, with fluorinated electron-deficient 2,1,3-benzothiadiazole (BT) unit as the acceptor and triphenylamine (TPA) as the donor, we construct two new D-A-type fluorophores DTPA-fBT and DTPA-ffBT. Theoretical calculations and experimental results reveal that the lowest excited states (S1) of the materials are characterized by hybridized local and charge-transfer (HLCT) properties, in which the fluorine substitution will increase the proportion of the charge-transfer (CT) component. Due to the introduction of fluoro substitution, multiple fluorine hydrogen bonds are formed, which endow the molecules with more rigid conformation, leading to lower non-radiative rates and higher photoluminescence quantum yield (PLQY) in solution and doped film, as well as improved thermal stability in the solid state. As a result, the two fluorinated DTPA-ffBT demonstrate significantly improved performance in OLEDs with a maximum external quantum efficiency (EQE) of 7.25% (5.90% for fluorine-free counterpart) and very low-efficiency roll-off (roll-off <7% at 10,000 cd m−2).

Effect of void-carbon on blue-shifted luminescence in TADF molecules by theoretical simulations.

Thermally activated delayed fluorescence (TADF) molecules have a theoretical 100% photoluminescence quantum yield in comparison with traditional fluorescent materials, leading to broad application in organic light-emitting diode (OLED). However, the application of TADF molecules with conjugated donor-acceptor structures in blue OLED remains a challenge due to their generally narrow energy gap between frontier molecular orbitals. Recently, a strategy has been approved in the improvement of the performance in TADF, in which void-carbon atoms between donor and acceptor fragments (donor-void-acceptor (D-v-A)) could regulate blue light emission. In this study, we first select three reported isomers followed by two proposed D-v-A TADF isomers to verify the feasibility of the void-carbon strategy through evaluation of the electronic structures in the excited state and photophysical properties. We further proposed a series of TADF molecules by replacing different donor and acceptor fragments to assess the applicability of the void-carbon strategy from the aspect of simulations in electronic structures, different properties of donor and acceptor fragments, photophysical properties, and analysis in the molecular conjugation. The results indicate that void-carbon strategy has conditional feasibility and applicability. Donor-acceptor molecular properties could be tuned through void-carbon strategy on aromatic acceptor fragments during the selection of promising candidates of TADF molecules. However, the void-carbon strategy does not work for the molecules with antiaromatic acceptor fragments, where the steric hindrance of the molecules plays a dominant role. Our work provides insightful guidance for the design of the blue-emission TADF molecules.

Theoretical Investigation of the Nonlinear Optical and Charge Transport Properties of N-(4-Methoxybenzylidene) Isonicotinohydrazone and Some of Its Derivatives: A DFT and TD-DFT Study

Here, we report the findings from a study on the charge transport and nonlinear optical (NLO) properties of N-(4-methoxybenzylidene) isonicotinohydrazone (INH) and some of its derivatives named INH1-INH15. The density functional theory (DFT) approach was used for ground state computations at the B3LYP-D/6-311G (d,p) level of theory, while the time-dependent density functional theory (TD-DFT) was carried out at the CAM-B3LYP/6-311G (d,p) level. The results show that the energy gaps of all the studied compounds range from 3.933 to 4.645 eV. INH3 and INH4 have the lowest electron and hole reorganization energies (i.e., 0.409 and 0.634 eV, respectively) and can thus be classified as moderate electron and hole-carrying materials for organic light-emitting diode (OLED) applications. TD-DFT computations demonstrate that an extension of the conjugation (in INH2 and INH3) increases the oscillator strength, improving the NLO response. According to the NLO data, INH2 and INH3 have higher static isotropic polarizabilities (38.509 and 37.986 × 10−24 esu, respectively) and second hyperpolarizabilities (54.440 and 57.598 × 10−36 esu, respectively), while INH4 and INH13 have higher first hyperpolarizability values (11.944 and 10.939 × 10−30 esu, respectively). The results reveal that INH derivatives with different groups are viable alternatives for OLED and NLO applications.