Journal of Molecular Structure最新文献

{"title":"Tris(benzimidazole)(nitrato)silver(I) complexes: Synthesis, catalytic activities, and biological evaluation","authors":"Lamia Boubakri ,&nbsp;Wissem Hallab ,&nbsp;Hüseyin Karci ,&nbsp;Anis Attour ,&nbsp;Muhammed Dündar ,&nbsp;İlknur Özdemir ,&nbsp;Nevin Gürbüz ,&nbsp;Ahmet Koç ,&nbsp;İsmail Özdemir ,&nbsp;Houcine Naïli ,&nbsp;Harald Kelm ,&nbsp;Naceur Hamdi","doi":"10.1016/j.molstruc.2026.145537","DOIUrl":"10.1016/j.molstruc.2026.145537","url":null,"abstract":"<div><div>In this study new N-alkylbenzimidazole derivatives <strong>1a-e</strong> and their related tris(benzimidazole)(nitrato)silver(I) complexes <strong>2a-e</strong> were prepared and characterized by FT-IR, ¹H,¹³C{1H} NMR spectroscopy, and elemental analysis, which support the proposed structures. Further confirmations of structural details were provided by a single-crystal X-ray. A single crystal of tris(N‐alkylbenzimidazole)(nitrato)silver(I) <strong>2e</strong> shows that the coordination geometry around Ag slightly distorted tetrahedral geometry. Further, the synthesized compounds were evaluated for their antimicrobial activities against bacteria <em>Escherichia coli, P. aeruginosa, S. aureus,</em> and the fungal strains <em>C. albicans</em> and <em>C. glabrata.</em> The results indicated that the activity shown by the tested compounds, especially against Gram-negative bacteria, is valuable for the development of new treatment options against these microorganisms. Especially, the drug development potential of N-alkyl-5,6-dimethylbenzimdazole <strong>1b</strong> and complexes <strong>2b, 2c</strong>, and <strong>2e</strong> showing the highest antimicrobial activity. Also, the alkylbenzimidazole substituent <strong>1b</strong> and <strong>1e</strong> and the Tris(1‐alkylbenzimidazole)silver(I) <strong>2c</strong> showed remarkable activity against fungi strains. Complexes <strong>2a, 2b, 2c, 2d</strong>, and <strong>2e</strong> also showed high cytotoxicity. The synthesized complexes demonstrated higher cytotoxicity relative to Cisplatin across all tested cell lines. Furthemore, a mild catalytic protocol for benzaldehyde, amine, and phenylacetylene coupling (A³-coupling) allows for the selective synthesis of propargyl amines using N-alkylbenzimidazole silver(I) nitrate catalysts with conversion of 100 %. The present approach is environmentally benign and water is generated as the sole by product.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1360 ","pages":"Article 145537"},"PeriodicalIF":4.7,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192408","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 triazolopyrimidine Ag(I) coordination polymer: From solid-state characterization to bioapplication","authors":"Beata Barszcz ,&nbsp;Adam W. Augustyniak ,&nbsp;Simona Galli ,&nbsp;Joanna Trzcińska-Wencel ,&nbsp;Patrycja Golińska ,&nbsp;Katarzyna Roszek ,&nbsp;Weronika Bodylska-Maj ,&nbsp;Marzena Fandzloch","doi":"10.1016/j.molstruc.2026.145557","DOIUrl":"10.1016/j.molstruc.2026.145557","url":null,"abstract":"<div><div>The Ag(I) coordination polymer [Ag(mtpO)]_n, containing the purine analog 1,2,4-triazolo[1,5-<em>a</em>]pyrimidin-7(4<em>H</em>)-one (HmtpO) in its anionic form, has been synthesized and characterized in the solid state as <em>per</em> its thermal behaviour and spectroscopic properties, combining infrared, Raman, diffuse reflectance, and photoluminescence spectroscopy. Stability monitoring under simulated physiological conditions (DPBS, pH = 7.4, T = 37°C) indicated a gradual and limited release of Ag⁺ ions, with their concentration increasing from 0.44 ppm after 1 h to 0.54 ppm after 7 days, thereby supporting the high water stability of [Ag(mtpO)]ₙ and its potential for controlled Ag⁺ delivery. In view of its potential future applications in the treatment of microbial infections, [Ag(mtpO)]_n was screened for <em>in vitro</em> cytotoxicity against a human dermal fibroblast (HDF) cell line. Importantly, the gradual release of Ag⁺ ions resulted in a lack of toxicity of the coordination polymer up to a concentration of 100 μg mL⁻¹ after 24 h treatment of normal cells. [Ag(mtpO)]_n was then tested for antimicrobial activity against bacteria (<em>Escherichia coli</em> ATCC 25922, <em>Klebsiella pneumoniae</em> ATCC 700603, <em>Pseudomonas aeruginosa</em> ATCC 10145, <em>Staphylococcus aureus</em> ATCC 25923) and yeast (<em>Candida albicans</em> ATCC 10231) strains, in comparison with HmtpO and the known antibacterial agent AgNO₃. Finally, the bioapplication studies of [Ag(mtpO)]_n were further extended to determine the inhibition of biofilm formation using the crystal violet assay.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1360 ","pages":"Article 145557"},"PeriodicalIF":4.7,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192474","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":"Water and thermal stability Eu-MOF for highly selectively sensing Fe3+ ions and phosphor-converted LED","authors":"Jing Li ,&nbsp;Xiao-Liang Yang ,&nbsp;Jia-Chen Liu ,&nbsp;Xin-Ci Wu ,&nbsp;Xiao-Tian Wei ,&nbsp;Ya-Pan Wu ,&nbsp;Xiao-Gang Yang","doi":"10.1016/j.molstruc.2026.145596","DOIUrl":"10.1016/j.molstruc.2026.145596","url":null,"abstract":"<div><div>Lanthanide metal–organic frameworks (Ln-MOFs) are widely recognized as excellent photo-functional materials, primarily owing to their bright emission, long luminescence lifetime, narrow and line-like emission. However, the urgent issues of water stability and thermal quenching still pose formidable challenges. Herein, one novel Ln-MOF [Eu2(CPIA)3(2,2′-bipy)(H2O)3]∙2H2O (<strong>Eu-MOF</strong>) can be facilely synthesized by the mixture of Eu2O3, (3-(3-carboxyphenyl) isonicotinic acid (H2CPIA) and 2,2′-bipyridine (2,2′-bipy) under hydrothermal conditions. It has a 3D porous framework with two kinds of channels being occupied by the 2,2′-bipy and uncoordinated pyridine rings of CPIA ligands. The water and thermal stability measurements exhibit that the <strong>Eu-MOF</strong> can maintain 95.50% and 80.05% of its initial luminescent intensity after remaining socked in water for 20 days and being heated to 150 °C, respectively. These physicochemical stability ensure it ideal candidate applied in the detection/recognition of Fe3+ ions, and solid-state lighting.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1360 ","pages":"Article 145596"},"PeriodicalIF":4.7,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192475","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":"Reactivity and antimicrobial evaluation of Co(II)-N2O2 Schiff base complexes with N-Heterocycles: Spectroscopic and DFT analysis","authors":"Manoj Kumar ,&nbsp;Atresh K. Singh ,&nbsp;Deepika Singh ,&nbsp;Pradeep K. Rao ,&nbsp;Satyam Singh","doi":"10.1016/j.molstruc.2026.145547","DOIUrl":"10.1016/j.molstruc.2026.145547","url":null,"abstract":"<div><div>Two cobalt(II) complexes, [Co(L^1,2)(H₂O)₂] (<strong>C1</strong>&amp;<strong>C2</strong>), were synthesized when Co(NO₂)₂·6H₂O reacted with Schiff base ligands derived from 5-chloro-2-hydroxybenzaldehyde and 1,2-diaminobenzene (<strong>H₂L²</strong>) or 1,2-diaminopropane (<strong>H₂L²</strong>). Further coordination of <strong>C1</strong> and <strong>C2</strong> with N-heterocycle ligands (L’) such as pyridine, imidazole, and benzimidazole yielded mixed-ligand complexes [Co(L^1,2)(L’)₂] (<strong>C3</strong>–<strong>C8</strong>). FT-IR spectra confirmed coordination through azomethine-N and phenolic-O atoms, whereas UV–Vis spectra supported a high-spin d⁷ octahedral configuration. Magnetic data indicated paramagnetic Co(II) centers in an octahedral environment. DFT analyses (<strong>C1</strong>–<strong>C4</strong>) revealed distorted octahedral geometries, and spin density analysis confirms high-spin Co(II) complexes with three unpaired electrons mainly localized on the metal centre. Topological analyses (NCI, RDG, ELF, LOL) supported the presence of strong hydrogen bonding, steric hindrance, and electron delocalization, consistent with experimental results. Antimicrobial studies showed that complexes <strong>C1</strong> and <strong>C2</strong> exhibited significantly enhanced antibacterial activity (inhibition zones: 17–24 mm), particularly against <em>Bacillus anthracis</em> and <em>Escherichia coli</em>, compared to their parent ligands. Moreover, while the Schiff bases displayed weak antifungal activity, their cobalt(II) complexes exhibited markedly improved efficacy, with <strong>C1</strong> demonstrating the highest antifungal potential. These findings suggest that cobalt(II) Schiff base complexes are promising candidates for antimicrobial applications.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1360 ","pages":"Article 145547"},"PeriodicalIF":4.7,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192476","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":"Borondifluoride engineered polarity-sensitive fluorescent probe for monitoring lipid droplet in cells and plants","authors":"Dandan Li ,&nbsp;Yingkun Liu ,&nbsp;Lin Wang ,&nbsp;Juan Lin ,&nbsp;Junfeng Li ,&nbsp;Aoxiang Feng ,&nbsp;Fan Yang ,&nbsp;Bo Zhang ,&nbsp;Zhihong Xu ,&nbsp;Jian-Yong Wang","doi":"10.1016/j.molstruc.2026.145514","DOIUrl":"10.1016/j.molstruc.2026.145514","url":null,"abstract":"<div><div>Lipid droplets (LDs) are central to the pathogenesis of diverse metabolic disorders. Tumor cells frequently accumulate elevated levels of these neutral-lipid reservoirs as an energy supply. To visualize this hallmark, a fluorine-boron complexed dipyrromethene (BODIPY) derivative fluorescent probe, <strong>HBTOMe-BF₂</strong>, was designed and developed. The probe combines excellent photostability and a high fluorescence quantum yield with a large, strictly linear spectral response to solvent polarity (R²&gt;0.95), enabling accurate reporting of micro-environmental changes in living cells. Moreover, <strong>HBTOMe-BF₂</strong> selectively targets lipid droplets; we successfully employed it for imaging neutral lipids in cells and for visualizing lipid reservoirs in plant tissues. This work provides a robust tool for real-time tracking of lipid-droplet dynamics and offers new opportunities for deciphering lipid-related cellular processes.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1360 ","pages":"Article 145514"},"PeriodicalIF":4.7,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192489","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":"Diastereoselective synthesis of dispiro[acenaphthylene-1,3′-pyrrolo[2,1-a] isoquinoline-1′,3′'-indole] derivatives via addition reaction of azomethine ylides with (Z)-3-benzylidene- scaffolds","authors":"Goutam Sinha ,&nbsp;Supratim Das ,&nbsp;Supriyo Halder ,&nbsp;Chhanda Mukhopadhyay","doi":"10.1016/j.molstruc.2026.145609","DOIUrl":"10.1016/j.molstruc.2026.145609","url":null,"abstract":"<div><div>A series of new dispiro[acenaphthylene-1,3′-pyrrolo[2,1-a]isoquinoline-1′,3′'-indole]-2,2′'(1′'H)-dione derivatives have been synthesized using acenapthaquinone, (Z)-3-benzylidene-1-phenyl-3,5,6,7-tetrahydro-1H-indole-2,4-dione derivative and 1,2,3,4-tetrahydroisoquinoline (THIQ) derivatives. The diastereoselective synthesis of this spiropyrrolo[2,1-a]isoquinoline-oxindole skeleton consist of two steps. First step is the simple Knoevenegal condensation between 3,5,6,7-tetrahydro-1H-indole-2,4-dione and aromatic aldehyde followed by the second step being the addition of (Z)-3-benzylidene-1-phenyl-3,5,6,7-tetrahydro-1H-indole-2,4-dione with azomethine ylide to produce the final product. ¹H and ¹³C NMR spectroscopy and single-crystal analysis demonstrated the diastereoselective synthesis of spiropyrrolo[2,1-a]isoquinoline-oxindole skeleton.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1360 ","pages":"Article 145609"},"PeriodicalIF":4.7,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192539","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":"Terahertz vibrational analysis and dehydration dynamics of creatine and its monohydrate","authors":"Haifeng Chen ,&nbsp;Yongqi Jiang ,&nbsp;Xingfeng Yang ,&nbsp;Hanhengye Zou ,&nbsp;Zhengqi Zha ,&nbsp;Yonggui Zha ,&nbsp;Zhenqi Zhu","doi":"10.1016/j.molstruc.2026.145626","DOIUrl":"10.1016/j.molstruc.2026.145626","url":null,"abstract":"<div><div>Crystalline water molecules are crucial in defining the properties of solid hydrates. The dehydration of hydrates is accompanied by changes in crystal form, which significantly affects their pharmaceutical properties. Creatine monohydrate (CMH) is a typical hydrate system, but the lattice dynamics during dehydration process remains unclear. This study systematically investigates the terahertz (THz) vibration characteristics of creatine (Cr) and its monohydrate. Combined with density functional theory (DFT), it is revealed that the absorption peak at 1.99 THz originates from the molecular framework vibration of Cr, whereas the peak at 2.28 THz is attributed to the hydrogen bonds vibration mediated by crystalline water. By monitoring the spectral evolution during isothermal dehydration, we found that structural relaxation persists in the dehydration product even after the crystal phase transition is complete. The results indicate that THz spectroscopy can sensitively reflect changes in hydration state, providing a new perspective for understanding the microscopic mechanism and quality monitoring.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1360 ","pages":"Article 145626"},"PeriodicalIF":4.7,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192542","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":"Coordination architectures and substituent-dependent photophysical behavior of Zn(II) complexes with tridentate ONO Schiff base ligands","authors":"Ali Pazoki ,&nbsp;Aria Tajally ,&nbsp;Sudabeh Shokrollahi ,&nbsp;Ahmad Amiri ,&nbsp;Farzaneh Fadaei-Tirani ,&nbsp;Zahra Emadi","doi":"10.1016/j.molstruc.2026.145613","DOIUrl":"10.1016/j.molstruc.2026.145613","url":null,"abstract":"<div><div>Three Zn(II) complexes, [Zn(L_B)(N₃)]_n (<strong>1</strong>), [Zn(L_N)₂] (<strong>2</strong>), and [Zn(L_N)(C₂H₄N₄)]_n (<strong>3</strong>) were synthesized using two tridentate O,N,O-donor Schiff base ligands: <strong>H₂L_B</strong> (4‑bromo-2-(((1‑hydroxy-2-methylpropan-2-yl)imino)methyl)phenol) and <strong>H₂L_N</strong> (2-(((1‑hydroxy-2-methylpropan-2-yl)imino)methyl)-4-nitrophenol). The structures of the complexes were elucidated by FT-IR and UV–Vis spectroscopy, as well as single crystal X-ray diffraction analysis. Two tridentate O,N,O-donor Schiff base ligands, H₂L_B (4‑bromo derivative) and H₂L_N (4-nitro derivative), were designed to explore the substituent-dependent structural and photophysical behavior of Zn(II) complexes. Three new complexes ([Zn(L_B)(N₃)]ₙ (<strong>1</strong>), [Zn(L_N)₂] (<strong>2</strong>), and [Zn(LN)(C₂H₄N₄)]_n (<strong>3</strong>)) were synthesized and structurally characterized by FT-IR, UV–Vis spectroscopy, and single-crystal X-ray diffraction. Complex <strong>1</strong> forms a one-dimensional azide-bridged coordination polymer with a distorted trigonal-bipyramidal geometry, whereas <strong>2</strong> and <strong>3</strong> exhibit octahedral and square-pyramidal geometries, respectively. Photophysical investigations revealed a strong substituent effect: the bromo‑substituted complex <strong>1</strong> shows intense ligand-centered emission (λ_em = 448 nm) attributed to a chelation-enhanced fluorescence (CHEF) mechanism, while the nitro-substituted complexes 2 and 3 undergo pronounced fluorescence quenching via intramolecular charge transfer. TD-DFT analyses supported experimental observations, indicating that electron-withdrawing substituents localize the LUMO on the NO₂ group, favoring non-radiative relaxation. These findings demonstrate a clear structure-property relationship in Zn(II) Schiff base systems and highlight their potential as tunable platforms for designing photoluminescent coordination materials.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1360 ","pages":"Article 145613"},"PeriodicalIF":4.7,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192702","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":"The impact of supramolecular ordering on the thermotropic behavior of asymmetrical azomethine liquid crystals","authors":"Manuela Maria Iftime,&nbsp;Ramona Lungu,&nbsp;Dana Bejan,&nbsp;Sergiu Shova","doi":"10.1016/j.molstruc.2026.145605","DOIUrl":"10.1016/j.molstruc.2026.145605","url":null,"abstract":"<div><div>The paper reports the impact of positional isomerism on the thermotropic behavior of two asymmetrical azomethines bearing a chlorine substituent and a flexible butyl chain. The isomers were synthesized <em>via</em> acid-catalyzed condensation and structurally characterized by FTIR, NMR, UV-vis spectroscopy, and single-crystal X-ray diffraction (SC-XRD). Thermal investigations using TGA, DSC, and POM revealed that the compounds exhibit enantiotropic or monotropic liquid crystalline behavior, forming Smectic A and Smectic B mesophases during cooling. It was demonstrated that the orientation of the imine linkage significantly influences the conjugation degree of the rigid core and the strength of intermolecular forces. Specifically, the isomer with more extended conjugation stabilizes the higher-ordered S_B phase, while conformational disorder in the flexible chains, favors the lower-ordered S_A phase.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1360 ","pages":"Article 145605"},"PeriodicalIF":4.7,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192445","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":"Non-covalent immobilization of lanthanum phthalocyanine on graphene oxide: Structural, spectroscopic, and thermal characterization","authors":"Beyza Cabir","doi":"10.1016/j.molstruc.2026.145497","DOIUrl":"10.1016/j.molstruc.2026.145497","url":null,"abstract":"<div><div>A lanthanum phthalocyanine–graphene oxide (LaPc–GO) nanohybrid was prepared via a non-covalent immobilization strategy and systematically characterized to elucidate its structural, spectroscopic, morphological, and thermal properties. The effective integration of the LaPc macrocycle onto the graphene oxide surface was examined using UV–Vis, FT-IR, Raman, XRD, XPS, SEM–EDX, and TG–DTA techniques. The spectroscopic results indicate that the intrinsic electronic and vibrational characteristics of LaPc are preserved after hybrid formation, while subtle band shifts and intensity variations suggest strong interfacial interactions with the GO surface. Structural and morphological analyses reveal a homogeneous dispersion of LaPc on the graphene oxide sheets without noticeable phase segregation or aggregation. Thermal analysis further demonstrates that the LaPc–GO nanohybrid exhibits enhanced thermal stability compared to pristine graphene oxide, as evidenced by increased decomposition temperatures and higher residual mass. These findings confirm the structural integrity and interfacial coupling within the LaPc–GO nanohybrid and highlight its potential for applications requiring thermally stable and π-conjugated functional materials.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1360 ","pages":"Article 145497"},"PeriodicalIF":4.7,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192477","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}