Crystal Growth & Design最新文献

{"title":"Alkali Metal-Directed Assembly and Structural Characterization of Layered Uranyl Tetrakisphosphonates","authors":"Pius O. Adelani*,&nbsp;, ,&nbsp;Jennifer E. S. Szymanowski,&nbsp;, ,&nbsp;Cale B. Gaster,&nbsp;, and ,&nbsp;Carmen E. Chamberlain,&nbsp;","doi":"10.1021/acs.cgd.5c00903","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00903","url":null,"abstract":"<p >Two uranyl-organic hybrid compounds were self-assembled from the reaction of uranyl cations with 1,4-phenylenebis(methylidyne)tetrakis(phosphonic acid) in the presence of alkali metal cations (Rb⁺ and Cs⁺): Rb_0.40{(UO₂)₂[(H_0.90O₃P)₂CH–C₆H₄–CH(PO₃H_0.90)₂](H₂O)₂} (<b>1</b>) and [Cs_0.33(H₂O)₂]₂{(UO₂)₂[(H_0.67O₃P)(HO₃P)CH–C₆H₄–CH(PO₃H)(PO₃H_0.67)](H₂O)₂} (<b>2</b>). Compound <b>1</b> consists of chains of UO₇ pentagonal bipyramids linked by the tetrakisphosphonate moieties into two-dimensional layered networks. In compound <b>2</b>, the –CH(PO₃)₂ groups chelate the uranyl centers in an exclusively bidentate mode, forming corrugated chains within a uranyl-tetrakisphosphonate framework. In both structures, the uranyl tetrakisphosphonate sheets are stabilized by weak intermolecular forces and noncovalent interactions involving water molecules and alkali metal ions.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 19","pages":"8108–8114"},"PeriodicalIF":3.4,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Giant Anomalous Hall Effect in the Kagome Ferrimagnet Tb1–xYxMn6Sn6 Single Crystals","authors":"Yi Zhou,&nbsp;, ,&nbsp;Quanxing Wei,&nbsp;, ,&nbsp;Junkai Jing,&nbsp;, ,&nbsp;Yu Feng,&nbsp;, ,&nbsp;Dongyun Chen,&nbsp;, ,&nbsp;Qiang Li,&nbsp;, ,&nbsp;Bing Teng*,&nbsp;, and ,&nbsp;Dong Chen*,&nbsp;","doi":"10.1021/acs.cgd.5c01042","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c01042","url":null,"abstract":"<p >The kagome ferrimagnet TbMn₆Sn₆ has been shown to host Chern-gapped Dirac fermions in the band structure, theoretically promising a large anomalous Hall effect (AHE). However, the experimentally observed AHE in TbMn₆Sn₆ is relatively modest compared with other topological magnetic materials. Here, we report a giant AHE in the single crystals of Tb_1–<i>x</i>Y_<i>x</i>Mn₆Sn₆ (<i>x</i> = 0.1–0.8), which retain the same ferrimagnetic ground state as pristine TbMn₆Sn₆. A significant enhancement of both intrinsic and extrinsic contributions to the anomalous Hall conductivity (AHC) is observed, resulting in a maximum AHC of 2202 Ω^–1 cm^–1 for <i>x</i> = 0.7. This is a record within the <i>R</i>Mn₆Sn₆ (<i>R</i> = Gd–Er) family and surpasses most of the magnetic AHE materials. We attribute the enhanced intrinsic AHC to disorder-induced band structure modulation and the boosted extrinsic contribution to the high density of scattering centers and preserved high conductivity owing to the similar ionic radii of Y and Tb.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 19","pages":"8217–8222"},"PeriodicalIF":3.4,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hydroxylammonium Chloride Cocrystals: Structural and Hygroscopicity Trends","authors":"Leila M. Foroughi,&nbsp;, ,&nbsp;Andrew J. Bennett,&nbsp;, ,&nbsp;Josephine L. Yeh,&nbsp;, and ,&nbsp;Adam J. Matzger*,&nbsp;","doi":"10.1021/acs.cgd.5c00523","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00523","url":null,"abstract":"<p >Extreme hygroscopicity presents challenges in solids handling. For example, hydroxylammonium nitrate, which is used in energetics applications, is typically deployed in solution due to the deliquescence of the compound under ambient conditions. Hydroxylammonium is also used as a counterion in a variety of salts. To elucidate the supramolecular chemistry of the hydroxylammonium cation, its chloride salt was experimentally tested for cocrystallization using 20 potential coformers; 6 of these yielded a total of 11 ionic cocrystals that were characterized using single crystal X-ray diffraction and Raman spectroscopy. Hydroxylammonium donates four hydrogen bonds and sp² nitrogen or <i>N</i>-oxide functionalities are common acceptors from the cation. Analysis of the hydrogen bonding revealed the hydroxylammonium OH typically serves as the stronger hydrogen bond donor compared to NH₃⁺. The impact of cocrystallization on hygroscopicity was studied relative to hydroxylammonium chloride with 9 of the 11 cocrystals exhibiting a decrease in hygroscopicity.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 19","pages":"7903–7910"},"PeriodicalIF":3.4,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An Organic Clathrate with Energetic Potential","authors":"Will Greenwood,&nbsp;, ,&nbsp;Craig C. Robertson,&nbsp;, and ,&nbsp;Peter Portius*,&nbsp;","doi":"10.1021/acs.cgd.5c00420","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00420","url":null,"abstract":"<p >According to NMR and IR spectroscopy, microanalysis, simultaneous thermal analysis, and X-ray diffraction measurements, 2-bromo-4,5-dinitroimidazole forms isostructural clathrates (<i>Ia</i>3̅) of the stoichiometry (BrDNI)₃(solvent)(H₂O)₂ (solvent = MeCN, acetone, MeNO₂) in which a hydrogen- and halogen-bonded BrDNI-H₂O clathrate framework provides for 1458 to 1392 ų large crystal voids which collapse at <i>T</i>_on = 40 to 63 °C. The clathrates are weakly energetic (<i>D</i>_CJ &lt;5 km s^–1, <i>p</i>_CJ &lt;5 kbar).</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 19","pages":"7966–7975"},"PeriodicalIF":3.4,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Discovery of Binary and Ternary Colored Crystalline Phases in Atovaquone: From Stoichiomorphs to Solvates","authors":"Muhammed Shah K. K.,&nbsp;, ,&nbsp;Somnath Dey,&nbsp;, ,&nbsp;Anila M. Menon,&nbsp;, ,&nbsp;Fathima Nida PSR,&nbsp;, ,&nbsp;Ankita Kumari,&nbsp;, ,&nbsp;Mrinal K. Adak,&nbsp;, ,&nbsp; Shashiprabha*,&nbsp;, ,&nbsp;Dibyajyoti Ghosh*,&nbsp;, and ,&nbsp;Deepak Chopra*,&nbsp;","doi":"10.1021/acs.cgd.5c01068","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c01068","url":null,"abstract":"<p >Liquid-assisted mechanochemical grinding (LAG) was explored as a method to synthesize multicomponent forms of the active pharmaceutical ingredient (API), which includes salt, cocrystal, and solvates. <i>Trans</i>-atovaquone (AT), the API used in this research, was subjected to LAG with different coformers, of which new phases were obtained with three coformers: piperazine, 3,4-diaminopyridine, and 4-dimethylaminopyridine. Interestingly, the yellow-colored AT after dry grinding gave a red colored powder, which in turn changed into a deep red color by the addition of solvent. Powder X-ray diffraction confirmed the formation of new phases in the obtained product. Crystallization experiments performed on this powder by the slow evaporation method at low temperature yielded seven novel multicomponent forms of the API, namely, a salt, salt solvate, and salt cocrystal solvate. These multicomponent forms were characterized using single-crystal and powder X-ray diffraction and infrared and ultraviolet–visible spectroscopy, along with thermal methods like differential scanning calorimetry, thermogravimetric analysis, and hot stage microscopy. The crystal packing analysis revealed charge-assisted N⁺–H···O^– short hydrogen bonds, formed by the proton transfer interaction between the AT and the coformer. Infrared spectroscopy analysis also revealed deprotonation of the AT. The origin behind the drastic color change due to LAG was explored by the band gap calculations from the ultraviolet–visible spectrum using the Tauc plot, as well as density functional theory calculations, and such studies support the observed color change. A significant decrease in the band gap energy for the multicomponent forms in comparison to that of the parent drug was observed. Further study explored the presence of C–H···O/N/Cl, N–H···O, O–H···O/N, C–H···π, and π···π interactions that contributed toward the stability of the various crystalline forms. The crucial discovery involves direct evidence of change of color and reduction of the band gap by the cocrystallization method, which to the best of our knowledge is unprecedented in the field of pharmaceutical cocrystals. These results can open up new avenues of research toward the use of drug molecules for more efficient drug delivery, biomedical, and optoelectronic applications in the years to come.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 19","pages":"8252–8270"},"PeriodicalIF":3.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195695","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Taylor Vortex Flow-Induced Homochiral Nucleation Enables Additive-Free Enantiopure Crystallization of Hippuric Acid","authors":"Bowen Zhang*,&nbsp;, ,&nbsp;Ziwen Deng,&nbsp;, ,&nbsp;Dandan Han*,&nbsp;, and ,&nbsp;Junbo Gong*,&nbsp;","doi":"10.1021/acs.cgd.5c01061","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c01061","url":null,"abstract":"<p >Achieving enantiopure crystallization without the aid of chiral additives or grinding remains a significant challenge in crystallization-based chiral separation. This study demonstrates that periodic Taylor vortex flow (TVF) within a Couette–Taylor crystallizer can drive chiral symmetry breaking (CSB) during the early stages of crystallization, resulting in nearly 100% enantiomeric excess (ee) of hippuric acid as early as the induction period. This performance significantly exceeds that of conventional mixed-tank crystallizers operating under random turbulent flow (RTF). Supersaturation is found to critically influence the extent of CSB. While ee during the induction period under RTF diminishes rapidly with increasing supersaturation, periodic TVF sustains full ee up to a supersaturation of 1.8 and robustly facilitates the dominance of a single enantiomer across all tested conditions, despite the stochastic nature of handedness selection. CFD simulations reveal that Taylor vortices generate coherent flow structures and spatially organized thermal gradients during cooling crystallization, which collectively facilitate molecular alignment and the formation of homochiral prenucleation clusters. These effects favor initial nucleation of a single enantiomer and suppress stochastic, racemic pathways. Importantly, by emphasizing the roles of both homochiral primary nucleation and secondary nucleation, this work extends traditional CSB mechanisms and highlights structured hydrodynamics as a critical regulator of chiral outcomes. This work not only advances the mechanistic understanding of flow-mediated chiral crystallization but also presents a scalable, additive-free strategy for producing enantiopure materials, with broad relevance to pharmaceutical and fine chemical manufacturing.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 19","pages":"8223–8231"},"PeriodicalIF":3.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195692","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Piezoelectric Molecular Cocrystal with Unconventional π-Stacking","authors":"Samuel G. Dunning*,&nbsp;, ,&nbsp;Aldo Raeliarijaona,&nbsp;, ,&nbsp;Piotr A. Guńka,&nbsp;, ,&nbsp;Anirudh Hari,&nbsp;, ,&nbsp;Dongzhou Zhang,&nbsp;, ,&nbsp;R. E. Cohen*,&nbsp;, and ,&nbsp;Timothy A. Strobel*,&nbsp;","doi":"10.1021/acs.cgd.5c00669","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00669","url":null,"abstract":"<p >We demonstrate the crystallization of a polar octafluoronaphthalene (OFN, C₁₀F₈)–phthalazine (Phth, C₈H₆N₂) cocrystal formed in a 1:2 ratio by slow evaporation. The crystal structure and vibrational properties of the cocrystal were determined using powder/single-crystal X-ray diffraction (XRD) and Fourier-Transform Infrared (FTIR) spectroscopy, and confirmed with density functional theory (DFT) and density functional perturbation theory (DFPT) calculations. The molecular π-stacking of aromatic rings is unconventional compared with that of other arene–perfluoroarene cocrystals. Phth molecules are offset and misaligned with respect to the major axis of OFN due to combined π–π and dipole–dipole interactions, enabling overall electric polarization attributed to the dipole moment of Phth. Our calculations show that OFN:2Phth is an insulator with a band gap &gt;2.4 eV. The electric polarization was calculated to be 7.1 μC cm^–2, while the shear piezoelectric coefficient (<i>d</i>₃₄) may be as large as 11.4 pC N^–1.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 19","pages":"7911–7918"},"PeriodicalIF":3.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anisotropy-Driven Wettability Heterogeneity of Smithsonite Surface: A Crystal Cleavage Perspective on Fine Mineral Flotation Limitations","authors":"Hong Zheng,&nbsp;, ,&nbsp;Yan Miao,&nbsp;, ,&nbsp;Changbin Li,&nbsp;, ,&nbsp;Guangke Ye,&nbsp;, and ,&nbsp;Guofan Zhang*,&nbsp;","doi":"10.1021/acs.cgd.5c00920","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00920","url":null,"abstract":"<p >The presence of fine-grained minerals with poor flotability in zinc oxide ores results in a notable loss of zinc resources. While previous studies have focused on macroscopic flotation parameters, the crystallographic origin of microfine mineral processing challenges remains unexplored. Indeed, the distinctive anisotropy of fine-grained mineral crystal surfaces exerts a profound influence on the wettability and flotability. In this study, a comprehensive examination of the anisotropy of typical smithsonite during grinding and cleavage was conducted. The methods employed included flotation experiments, X-ray diffraction (XRD), scanning electron microscopy (SEM), Raman spectroscopy, atomic force microscopy (AFM), contact angle measurements, and density functional theory (DFT) calculations. Results demonstrated that significant anisotropy was exhibited on the surface of smithsonite crystal during the grinding process. The reduced particle sizes correlated with the preferential exposure of the (012) cleavage surface and the diminished relative content of the (104) surface. This process was dominated by the surface energy, broken bond density, and strength of mineral crystals. Subsequent analysis revealed significantly weaker collector affinity for the (012) surface compared with the (104) surface, directly manifesting as severely compromised surface hydrophobicity during flotation. This phenomenon originated from the tendency of the (012) surface to form stable hydration layers that impeded collector interaction. The pronounced anisotropy of microfine smithsonite during grinding and cleavage represents a pivotal intrinsic factor contributing to the deterioration of flotation. This work can contribute to a more comprehensive understanding of fine-grained flotation from a novel microscopic perspective, taking into account the anisotropic effects of the mineral crystals themselves.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 19","pages":"8115–8132"},"PeriodicalIF":3.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Designing and Application of a Microfluidic Chip with Continuous Concentration Gradients in the Crystallization of Proteins","authors":"Hui Guo,&nbsp;, ,&nbsp;Meixuan Li,&nbsp;, ,&nbsp;Ziqi Liu,&nbsp;, ,&nbsp;Yitong Li,&nbsp;, ,&nbsp;Jialin Chen,&nbsp;, and ,&nbsp;Xiaoxi Yu*,&nbsp;","doi":"10.1021/acs.cgd.5c01071","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c01071","url":null,"abstract":"<p >The complexity and sensitivity of proteins make their crystallization a significant bottleneck in structural biology, materials science, and biopharmaceutical research. The development of microfluidics technology provides substantial advantages in studying protein crystallization, thanks to its low reagent consumption and high-throughput capabilities. In this study, a novel microfluidic chip was designed to enable continuous and precise control of concentration gradients in microdroplets. The structure of the microfluidic chip was designed by using COMSOL in the first place. The accuracy and continuity of droplet concentrations were further confirmed through fluorescence dye experiments. The designed microfluidic chip was then employed to high throughput map the crystallization phase diagram of the model protein lysozyme, demonstrating highly consistent results with 96-well plates. Additionally, a microarray was utilized to effectively screen the crystallization conditions of papain, resulting in the purification of papain through scale-up experiments.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 19","pages":"8241–8251"},"PeriodicalIF":3.4,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enantioselective Sensing of Amino Acids Using a Structurally Distinct Ni-Based H-MOF/MOF: Insights from Spectroscopy and Molecular Simulations","authors":"Madiha Saqlain,&nbsp;, ,&nbsp;Hafiz Muhammad Zohaib,&nbsp;, ,&nbsp;Maroof Ahmad Khan,&nbsp;, ,&nbsp;Sara Masood,&nbsp;, ,&nbsp;Samina Qamar,&nbsp;, ,&nbsp;Maida Fatima,&nbsp;, ,&nbsp;Irfan Muhammad*,&nbsp;, and ,&nbsp;Hui Li*,&nbsp;","doi":"10.1021/acs.cgd.5c00526","DOIUrl":"https://doi.org/10.1021/acs.cgd.5c00526","url":null,"abstract":"<p >This research uses single-crystal X-ray diffraction (SC-XRD) to analyze the structures of hydrogen-bonded metal–organic frameworks (H-MOF(1)), {[Ni(dTMP)(4,4′-azpy)(H₂O)₅]•(H₂O)}_<i>n</i>, and MOF(2), {[Ni(dTMP)(bpe)(H₂O)₃]•5H₂O}_<i>n</i>, synthesized by a slow evaporation method using organic ligands 2′-deoxythymidine-5′-monophosphate (dTMP), 4,4′-azopyridine (4,4′-azpy), and 1,2-bis(4-pyridyl)ethene (bpe). The chiral recognition behavior of these MOFs toward <span>d</span>- and <span>l</span>-amino acids was studied via absorption, circular dichroism (CD), fluorescence spectroscopy, and time-resolved measurements. H-MOF(1) shows fluorescence enhancement with <span>d</span>- and <span>l</span>-asparagine, driven by hydrogen bonding and structural rigidity. <span>d</span>-Asparagine has a higher quantum yield (Φ = 18.4%) and lower detection limit (LoD = 0.315 μM) than <span>l</span>-asparagine (Φ = 17.3%, LoD = 0.415 μM), indicating moderate enantioselectivity. The CD signals for <span>l</span>- and <span>d</span>-asparagine on interaction with H-MOF(1) are distinctly different but diverge from those observed for the complex itself, so H-MOF(1) serves as a dual probe for separating asparagine, not for chiral separation. MOF(2) exhibits fluorescence quenching with <span>l</span>-phenylalanine, attributed to both static and dynamic mechanisms, evidenced by Stern–Volmer quenching plots and a decrease in lifetime from 4.4 to 1.58 ns and a drop in quantum yield (Φ = 20.1% for <span>l</span>-phenylalanine, 11.1% for <span>d</span>-phenylalanine), with LoD values of 0.292 and 2.992 μM. CD spectra reveal a negative band between 300 and 400 nm for the MOF(2): <span>l</span>-phenylalanine complex, suggesting strong π–π stacking and a chiral environment. These results point to MOF(2)’s high enantioselectivity toward <span>l</span>-phenylalanine and its dual role as a fluorescent and CD-active chiral probe. Molecular dynamics simulations reveal that π–π interactions, along with hydrogen bonding and electrostatics, play a crucial role in chiral recognition.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"25 19","pages":"7976–7988"},"PeriodicalIF":3.4,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}