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Crystal Engineering of Organic Optoelectronic Materials
摘要： Crystal engineering can be regarded as the highly ordered and complicated supramolecular synthesis of functional crystalline solids by control of intermolecular interactions. As one of the most important organic solids for crystal engineering, organic optoelectronic materials have received tremendous interest in the past several decades. In this review, we discuss systematically how to design organic optoelectronic materials from the perspective of crystal engineering including molecular structures, intermolecular interactions, packing arrangements, crystal growth, and patterning methods as well as two-component and multi-component molecular materials. We underline the correlations among molecular structures, packing modes, crystal morphologies, and optoelectronic properties. Finally, we address several key points for further exploration in this field.
关键词： Crystal Growth,Intermolecular Interactions,Crystal Engineering,Patterning Methods,Organic Optoelectronic Materials,Packing Arrangements
更新于2025-09-19 17:13:59
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Decrease of intermolecular interactions for less-doped efficient deep blue monomer light-emitting diodes
摘要： Intermolecular interactions arise from molecular aggregation and cause concentration quenching and excimer emission. Although aggregation or excimer induced emission are sometimes favored, for example for color tuning, intermolecular interactions should usually be minimized because concentration quenching and excimer emission usually result in poor efficiency and color instability. In this paper, two novel tert-butyl modified naphthyl derivates, 4,5'-di-{[N,N,N',N'- tetrakis-(4-tert-butyl-phenyl)]phenyl-1'',4'''-diamine}-1,1'-binaphthalenyl (BN5) and 1,5-di-{[N,N,N', N'-tetrakis-(4-tert-butyl-phenyl)]phenyl-1'',4'''-diamine}-3,7-bi-tertbutylnaphthalenyl (BN6), have been synthesized and their intriguing photophysical properties and high-efficiency deep-blue electroluminescence (EL) in less-concentrated condensed phase investigated. Electroluminescent devices based on BN5 in 50% matrix achieved a high external quantum efficiency (EQE) of 3.7% and the Commission Internationale de L’Eclairage (CIE) coordinates of (0.160, 0.081) which is very close to the National Television Standards Committee’s (NTSC of USA) pure blue standard. Meanwhile, the non-doped device based on BN5 demonstrated a much higher EQE of 4.5%. Neat BN6-based device presented a pure monomer emission (λpeak = 420 nm) with an extremely high EQE of 5.1% and a satisfactory CIE coordinate of (0.171, 0.076). Such values are the best ever reported for 420 nm EL emission with an un-doped layer. We attributed the enhanced performance of deep blue monomer light-emitting diodes to tert-butyl groups of BNs due to a reduction of intermolecular interaction, especially the tert-butyl substituents on the molecular backbone of BN6 play a major role in inhibiting dimer and crystallization-induced emission.
关键词： excimer emission,organic light-emitting diodes,deep blue,intermolecular interactions
更新于2025-09-11 14:15:04
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Dynamic intermolecular interactions control adsorption from mixtures of natural organic matter and protein onto titanium dioxide nanoparticles
摘要： Engineered nanoparticles (NPs) will obtain macromolecular coatings in environmental systems, changing their subsequent interactions. The matrix complexity inherent in natural waters and wastewaters greatly complicates prediction of the corona formation. Here, we investigate corona formation on titanium dioxide (TiO2) NPs from mixtures of natural organic matter (NOM) and a protein, bovine serum albumin (BSA), to thoroughly probe the role of mixture interactions in the adsorption process. Fundamentally different coronas were observed under different NP exposure conditions and time scales. In mixtures of NOM and protein, the corona composition was kinetically determined, and the species initially co-adsorbed but were ultimately limited to monolayers. On the contrary, sequential exposure of the NPs to pure solutions of NOM and protein resulted in extensive multilayer formation. The intermolecular complexation between NOM and BSA in solution and at the NP surface was the key mechanism controlling these distinctive adsorption behaviors, as determined by size exclusion chromatography (SEC) and in situ attenuated total reflectance – Fourier transform infrared (ATR-FTIR) spectroscopy. Overall, this study demonstrates that dynamic intermolecular interactions and the history of the NP surface must be considered together to predict corona formation on NPs in complex environmental media.
关键词： corona formation,adsorption,bovine serum albumin,Engineered nanoparticles,titanium dioxide nanoparticles,natural organic matter,intermolecular interactions
更新于2025-09-11 14:15:04
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Isothermal crystallization of poly(glycolic acid) studied by terahertz and infrared spectroscopy and SAXS/WAXD simultaneous measurements
摘要： Isothermal crystallization of poly(glycolic acid) (PGA) has been studied using terahertz (THz) and infrared (IR) spectroscopy and simultaneous small-angle X-ray scattering (SAXS)/wide-angle X-ray diffraction (WAXD) measurements. Changes in the intermolecular interactions in PGA during the isothermal crystallization were monitored using THz spectroscopy, which is an efficient technique for analyzing the higher-order structure of polymers. In the THz spectra, the temporal difference in the intensity observed in the isothermal crystallization is due to the difference in the vibrational origins of two bands at 192 and 65 cm?1. The band at 192 cm?1 primarily originates from the intramolecular vibrational mode (twisting of the local structure of the PGA molecular chain). Furthermore, the band at 65 cm?1 exists due to the intermolecular vibration mode (C = O···H-C hydrogen bonds between polymer chains). In addition, these THz bands appeared after the appearance of the SAXS and WAXD peaks. When a lamellar structure is formed and the molecular chains are oriented, the THz band originating from the intermolecular vibration is observed. It is highly possible that the intermolecular vibration appearing in the THz spectra requires the molecular chains to be oriented.
关键词： Terahertz spectroscopy,Intermolecular interactions,Infrared spectroscopy,Isothermal crystallization,SAXS/WAXD,Poly(glycolic acid)
更新于2025-09-10 09:29:36
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Nonlinear optical organic–inorganic crystals: synthesis, structural analysis and verification of harmonic generation in tri-( <i>o</i> -chloroanilinium nitrate)
摘要： The structural and nonlinear optical properties of a new anilinium hybrid crystal of chemical formula (C6H7NCl+NO3?)3 have been investigated. The crystal structure was determined from single-crystal X-ray diffraction measurements performed at a temperature of 100 K which show that the compound crystallizes in a noncentrosymmetric space group (Pna21). The structural analysis was coupled with Hirshfeld surface analysis to evaluate the contribution of the different intermolecular interactions to the formation of supramolecular assemblies in the solid state that exhibit nonlinear optical features. This analysis reveals that the studied compound is characterized by a three-dimensional network of hydrogen bonds and the main contributions are provided by the O···H, C···H, H···H and Cl···H interactions, which alone represent ～85% of the total contributions to the Hirshfeld surfaces. It is noteworthy that the halogen···H contributions are quite comparable with those of the H···H contacts. The nonlinear optical properties were investigated by nonlinear diffuse femtosecond-pulse reflectometry and the obtained results were compared with those of the reference material LiNbO3. The hybrid crystals exhibit notable second (SHG) and third (THG) harmonic generation which confirms its polarity is generated by the different intermolecular interactions. These measurements also highlight that the THG signal of the new anilinium compound normalized to its SHG counterpart is more pronounced than for LiNbO3.
关键词： structural analysis,Hirshfeld surface analysis,intermolecular interactions,nonlinear optical properties
更新于2025-09-04 15:30:14