CRYSTAL GROWTH & DESIGN
·
2024
·
IF 3.2
Kangning Sun,Peizhuo Han,Changlin Yao,Yaning Zhao,Chuanchi Zhang,Yao Zhang,Jingke Jiang,Lei Wang
Molecules at the liquid/vapor interface have different properties, such as faster mobility and special packing structure, which can potentially affect crystal nucleation. However, the surface effect varies significantly among different small organic molecules and the underlying mechanism is still poorly understood. Herein, the effect of the surface on the crystal nucleation dynamics has been investigated in the glass-forming liquid molnupiravir (MPV) by measuring the crystal nucleation rates at the surface and in the bulk. It was found that the surface of the glass-forming liquid MPV could significantly enhance the nucleation rate by around six orders of magnitude without a polymorphic change. In comparison to water and acetaminophen with a surface enhancement factor of Js/Jv ≈ 105, the larger surface enhancement factor of MPV indicates a higher similarity between the nucleated crystal structure and the molecular packing at the surface. Our work enriches the surface-enhanced nucleation systems, which are beneficial to further understanding the stability of amorphous drugs.
研究领域:
材料科学
·
药学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Central South University
·
2024
·
IF 3.7
Bai Ya-hui,Wang Ke,Wu Xiang-xi,He Dan,Li Xiao-jun,Zhang Jian-qi,Li Yong-fang,Zhao Fu-wen
Limited charge carrier lifetime ( τ ) leads to the short charge carrier diffusion length ( L D ) and thus impedes the improvement of power conversion efficiencies (PCEs) of organic solar cells (OSCs). Herein, anthracene (AN) as the additive is introduced into classical donor: acceptor pairs to increase the τ . Introducing AN efficiently enhances the crystallinity of the PM6:BTP-eC9+ blend film to reduce the trap density and increase the τ to 1.48 µs, achieving the prolonged L D . The prolonged L D enables the PM6:BTP-eC9+ blend film to gain weaker charge carrier recombination, reduced leakage current, and shorter charge carrier extraction time in devices, compared with PM6: BTP-eC9 counterparts. Therefore, PM6:BTP-eC9+ based OSCs achieve higher PCEs of 18.41%±0.16% than PM6:BTP-eC9 based ones (17.08%±0.11%). Moreover, the PM6:L8-BO+ based OSC presents an impressive PCE of 19.14%. It demonstrates that introducing AN is an efficient method to increase the τ for prolonged L D , boosting PCEs of OSCs.
研究领域:
材料科学
·
能源研究
✓ 已验证
DOI
高影响因子
NEW JOURNAL OF CHEMISTRY
·
2021
·Vol. 45
·期 6
·3193-3201
·
IF 3.591
Lianglin Zhang,Shuwei Lin,Yi Li,Baozong Li,Yonggang Yang
Four Ala–Ala dipeptides with a semi-perfluoroalkyl chain were synthesized. The intermolecular hydrogen bonding among amide groups and carboxyl groups as well as the hydrophobic association of semi-perfluoroalkyl chains drove the self-assembly of dipeptides. Homochiral dipeptides were able to self-assemble into coiled nanoribbons in a mixed solvent of DMSO/H2O (5/5, v/v), while entangled twisted nanofibers formed for heterochiral ones in a mixed solvent of DMSO/H2O (4/6, v/v). The handedness of self-assemblies and the stacking chirality of phenylene groups were controlled by the chirality of the alanine residue at the C-terminal. The vibration circular dichroism investigation indicated that the helicity of the semi-perfluoroalkyl chain was controlled by the handedness of dipeptide self-assemblies. The X-ray diffraction study showed that homochiral and heterochiral dipeptides underwent distinct molecular packing during the self-assembly. Our results clearly demonstrated that, through supramolecular self-assembly, the chirality transferred from the amino acid building block to the self-assemblies and eventually to the semi-perfluoroalkyl chain.
研究领域:
生物化学
·
材料科学
·
分子生物学
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Taihe Han,Shuai Mu,Qin Huang,Jiaxing Sun,Xin Lv,Yanxia Zhang,Xiaoyan Liu,Wei Guo,Haixia Zhang
The development of high fluorescence quantum yield molecular fluorophores for second-order near-infrared (NIR-II) imaging is highly desirable but remains challenging due to the lack of reliable design guidelines. We report a method to construct “J-aggregates” by combining the inhibition of twisted intramolecular charge transfer (TICT) and electron-withdrawing strategies. Introducing electron-withdrawing substituents at the middle position of the classic boron dipyrromethene (BODIPY) backbone promotes J-type slip stacking, enhancing NIR-II fluorescence through increased electrostatic repulsion and intermolecular hydrogen bonding. The 3,5-aryl position is modified with sulfone and quaternary piperazine groups. The negative inductive effect (–I effect) from strong electron-withdrawing action increases the ionization potential (IP) of the amino group, inhibiting the TICT process and improving the quantum yield to 9.03 % and 16.9 %, respectively. Notably, the fluorescence quantum yield of NBDP-SO 2 increased to 18.2 % after self-assembly with F127, successfully applied in bioimaging. This study provides a new method for constructing high fluorescence quantum yield NIR-II emission by manipulating molecular stacking and establishing the relationship between molecular structure, intermolecular interactions, and fluorescence properties.
研究领域:
生物医学工程
·
分子影像学
✓ 已验证
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2024
·
IF 4
Wenlong Qu,Xiaoling Niu,Haoyu Ma,Yongliang Liu,Zhen Feng,Shengbo Zhu
Due to the aggregation induced emission (AIE) materials exhibiting obvious fluorescent emission changes under the external stimuli of heat, solvent, force and so on, significant efforts have been directed toward developing AIE-active materials with high contrast stimuli-responsive fluorescence behaviors. Herein, three electron-donor(D)-electron-acceptor(A) and D-A-D type organic fluorescence emitters of Cz-DC-tBu, Cz-DC-CN and Cz-DC-OMe were facilely synthesized using carbazole group as D unit and cyano group as A unit. They showed typical AIE features and exhibited remarkable color changes under mechanical force and in different polarity solvents, respectively. The stimuli-responsive mechanism of the compounds were investigated by powder X-ray Diffraction (PXRD) and density functional theory calculations (DFT), which revealed that the mechanofluorochromic behaviors were associated with the molecular packing modes, and the solvatochromic effects were caused by the intramolecular charge-transfer transition (ICT) effect. Significantly, it was found that Cz-DC-tBu showed high contrast stimuli-responsive behaviors through adjusting the substituent groups on the cyanostilbene unit with CN, OMe, and tBu groups, respectively. This study provided a new strategy for the design of AIE-active stimuli-responsive fluorescence emitters, and made them possible using in stress sensors, chemical detection, memory storage, anti-counterfeiting applications.
研究领域:
材料科学
·
有机化学
✓ 已验证
DOI
高影响因子
DYES AND PIGMENTS
·
2019
·
IF 4.018
Jian Cao,Tong Shan,Ji-Kang Wang,Yun-Xiang Xu,Xiancheng Ren,Hongliang Zhong
Asymmetrical side chains were widely used in conjugated molecules, but related stereoisomeric phenomenan is rarely investigated. Herein, two stereoisomers based on ladder-type acceptor IDT-BT-R with asymmetrical side chains were synthesized and their properties were studied. Compared to cis -IDT-BT-R, trans -IDT-BT-R with centrosymmetrical structure showed stronger crystallinity and more ordered molecular packing. As a result, trans -IDT-BT-R based photovoltaic devices exhibited higher charge transport properties and superior power conversion efficiency (PCE) up to 9.43%.
研究领域:
有机化学
·
材料科学
·
光伏技术
✓ 已验证
产品关联
DOI
高影响因子
POLYMER
·
2022
·
IF 4.432
Chaofan Zhou,Jinghang Wang,Hewen Liu
Although incorporating AIEgens in versatile polymer topological structures is of high interest, cyclopolymers incorporating AIEgens have rarely been reported yet. In this work, a cyclopolymer incorporating tetraphenylethene groups in its cyclic repeating units (pTPE-dMMA) is synthesized in comparison with a linear polymer with tetraphenylethene pendant side groups (pTPE-MMA). The PLQY of pTPE-dMMA in the solid state is 50.35%, higher than that of pTPE-MMA (32.06%) in the solid state. The AIE behaviors of both pTPE-dMMA and pTPE-MMA in solutions are investigated. Because of the ring-constraint, the PL color of AIE cyclopolymer is not dependent on aggregation, while the PL intensity increases as the increased cyclopolymer concentration or aggregation. Even in an ultra-dilute solution (0.002 mg/mL), pTPE-dMMA exhibits significant AIE performance as the water fraction is increased. The enhanced AIE properties of pTPE-dMMA are ascribed to the ring constraint in the side groups and dense intra-/inter-molecular stacking. This work is useful not only for the designing novel AIE materials or fluorescent dyes , but also for understanding the structure–property–function relationships of a cyclopolymer.
研究领域:
材料科学
·
化学
✓ 已验证
产品关联
DOI
高影响因子
NEW JOURNAL OF CHEMISTRY
·
2022
·Vol. 47
·期 2
·653-659
·
IF 3.925
Ting Lian,Wei Liu,Yi Li,Yonggang Yang
A phenothiazine group was attached to a pair of Phe–Phe homochiral dipeptides with different chiralities. A structural transition from micelles to twisted nanoribbons with extending aging time was observed in a solvent mixture of HFIP and H2O. The FT-IR and XRD results indicated that a parallel β-sheet structure existed in the packing structure, and hydrogen bonding and π–π stacking played important roles in the nanoribbon formation. The phenothiazine segment and the bridging phenylene group were twisted in one-handedness, and the molecules with a conformational chirality were stacked in a chiral manner. Circular dichroism (CD) and circularly polarized luminescence (CPL) were detected in both micelles and nanoribbons. Handedness inversion of CPL was observed when the beginning micellar structures transformed into twisted nanoribbons. The results indicated that the chirality was transferred from Phe–Phe dipeptides to the capping phenothiazine group, and the chiral stacking style dominated the handedness of self-assemblies in both the ground and the excited states.
研究领域:
生物化学
·
材料科学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF SOLID STATE CHEMISTRY
·
2021
·
IF 3.498
Huichao Zhu,Shuaishuai Zhang,Jianjun Yang,Mingyuan Wu,Qingyun Wu,Jiuyi Liu,Jianan Zhang,Lin Kong,Jiaxiang Yang
Herein, we report the synthesis of two AIE-active tetraphenylethene-derived luminogens with diethylamino ( TPEDA ) or pyrrolidino group ( TPEPL ) as terminal substituents, and systematically investigate the influence of diethylamino and pyrrolidino groups as terminal substituents on their photophysical properties and mechanochromic behavior. Single-crystal structural analyses verified that the free alkyl chains of the diethylamino groups were beneficial to loosen the intermolecular stacking. They exhibited distinct luminescence behaviors in the aggregated state. Compared with TPEDA , TPEPL displayed a long-wavelength solid-state fluorescence due to the more extended π-conjugation system across its intermolecular packing structure. However, TPEDA exhibited mechanochromic behavior that manifested in a larger red-shift (25 nm), which was attributed to its looser stacking mode. The work not only presents a better understanding of structure-property relationship, but also offers a new method for modulating intermolecular stacking and developing mechanochromic materials.
研究领域:
材料化学
·
光物理化学
✓ 已验证
DOI
高影响因子
ChemSusChem
·
2017
·Vol. 11
·期 4
·672-680
·
IF 7.226
Yang Li,Rui Zhu,Junting Wang,Ze-Sheng Li,Niansheng Xu,Jidong Zhang,Peng Wang
Graphical It's only lateral : Two N -annulated perylene-based hole transporters were reported for perovskite solar cells. In comparison to the bulky 2-hexyldecyl, the methoxyphenyl lateral substituent can induce stronger intermolecular π–π stacking and better connectivity of the intermolecular aggregate domains in the solid films, leading to improved hole mobility and power conversion efficiency of the perovskite solar cells. Perylene derivatives are a family of well-known organic electron-transporting materials with excellent photochemical and thermal stabilities, and have been widely used in various optoelectronic devices. In this work, two diphenylamine functionalized N -annulated perylenes are reported as hole-transporting materials (HTMs) for perovskite solar cells. Through joint theoretical and experimental studies, the HTM employing a methoxyphenyl lateral substituent is found to feature a closer stacking distance and better aggregate connectivity in the solid film than its analogue with the bulky 2-hexyldecyl lateral substituent, contributing to a higher hole mobility and a remarkably enhanced device performance of perovskite solar cells. This work demonstrates the significant influence of lateral substituents of HTMs on the intermolecular packing and solid microstructure, giving a clear insight on the molecular design of high-performance organic semiconductors.
研究领域:
材料科学
·
有机电子学
·
光伏技术
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Physical Chemistry C
·
2021
·
IF 4.126
Xiunan Zhang,Jingkang Wang,Yue Liu,Yunhui Hao,Fei Yu,Danning Li,Xin Huang,Lu Yu,Ting Wang,Hongxun Hao
Development of tunable-emission solid fluorescent materials remains a challenge due to tedious synthesis strategies. Polymorphism plays a critical role in tuning solid state photophysical properties of crystalline materials. In this work, tunable emission of organic fluorescent crystals was achieved through polymorphic manipulation. The X-shaped tetrasubstituted molecule 2,5-bis(5-methyl-2-thienyl) terephthalaldehyde was synthesized as a model compound, which is pH insensitive and has large Stokes shifts. It adopts an extended conjugated system and enhanced conformational flexibility and occupies an intercrossed excited state of charge-transfer (CT) and local excitation (LE). Two polymorphs were prepared by controlling the cooling rate. The polymorphism-dependent emission and the interconversion between Form I (530 nm) and Form II (570 nm) provide an opportunity to unveil the inherent mechanism of different emission and the possible relationship between structure, packing, and function. With the incorporation of X-ray photoelectron spectroscopy, solid-state 13C NMR spectra, crystal structure analysis, and computational simulation, the dissimilar molecular structure and packing modes were intuitively and systematically investigated. Noncovalent interaction (NCI), atoms in molecules (AIM) approaches, and Hirshfeld surface analysis were used to further explain the fluorescence tuning from both different molecular packing modes and intermolecular interactions. The results demonstrated that electron delocalization degree and overlap of adjacent aromatic systems were responsible for the dissimilar photophysical properties.
研究领域:
材料科学
·
光物理学
·
计算化学
✓ 已验证
DOI
高影响因子
Soft Matter
·
2019
·Vol. 15
·期 25
·5060-5066
·
IF 3.399
Qintang Li,Kun Tong,Juan Qiu,Minhao Yan,Qiang Tian,Xiao Chen,Xiu Yue
During the past decade, deep eutectic solvents (DESs) have shown promising application in the self-assembly of surfactants. Various aggregates such as micelles, vesicles, lyotropic liquid crystals, microemulsions and gels have been reported. In this research, the phase behaviours of imidazolium surface active ionic liquids (SAILs) CnmimBr (n = 12, 14, 16) were investigated in ChG. With the help of small angle X-ray scattering (SAXS), the types and structure parameters of aggregates were determined. The molecular packing of SAILs was influenced by the solvophobic chain length, surfactant concentration, temperature and solvent, accounting for their different aggregation behaviours. This study would give a good description of the molecular packing of surfactants in DESs.
研究领域:
物理化学
·
材料科学
✓ 已验证
DOI
PubMed
高影响因子
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