Materials Advances最新文献

{"title":"Crystal size-dependent framework flexibility of a prototypical metal organic framework is related to metal content: zeolitic imidazolate framework-7†","authors":"Akalanka B. Ekanayake, Al A. Tiba, Leonard R. MacGillivray and Alexei V. Tivanski","doi":"10.1039/D4MA00804A","DOIUrl":"https://doi.org/10.1039/D4MA00804A","url":null,"abstract":"<p >Crystal size engineering is an emerging strategy to modulate mechanical and gas adsorption properties of metal–organic frameworks (MOFs). Fundamental principles on how the properties of these materials change with size remain to be understood and explored. Here, supermicron-, micro-, and nano-sized single crystals of a prototypical MOF zeolitic imidazolate framework-7 (ZIF-7) were generated using a solvothermal method. Atomic force microscopy (AFM) imaging revealed that nano- and micro-sized crystals exhibited rounded and prism-like morphologies, respectively. AFM nanoindentation was used to assess the stiffness (Young's modulus) of the rounded and prism-like crystals as a function of crystal size. We demonstrate that the framework flexibility increases (Young's modulus decreases) with crystal size reduction for both morphologies, which can be attributed to a larger number of point defects (missing metal nodes and/or missing linkers) for smaller crystals. Remarkably, scanning electron microscopy (SEM) energy dispersive X-ray spectroscopy measurements on individual prism-like micro-sized crystals of various sizes revealed a decreasing trend in the Zn/C ratio with crystal size reduction. Collectively, the size-dependent SEM and AFM characterization studies suggest that smaller crystals have lower relative metal content <em>via</em> a larger number of missing metal node defects. Our findings highlight how the mechanical properties of MOFs can vary significantly as a function of crystal size likely due to a variable and size-dependent number of missing metal node defects. Such size-dependent behavior especially towards the nanoscale is thus important to consider for the rational design of various functional crystalline materials.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 22","pages":" 9055-9060"},"PeriodicalIF":5.2,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ma/d4ma00804a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598773","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Iodine solid sorbent design: a literature review of the critical criteria for consideration†‡","authors":"Brian J. Riley, Joshua R. Turner, Joanna McFarlane, Saehwa Chong, Krista Carlson and Josef Matyáš","doi":"10.1039/D4MA00266K","DOIUrl":"https://doi.org/10.1039/D4MA00266K","url":null,"abstract":"<p >Designing sorbents for iodine capture in different conditions requires selection and optimization of a large and diverse range of variables. These variables fall into general categories (or features) of sorbent activity, sorbent stability, and the fate of the loaded material in terms of the disposal (waste form) options available. To illustrate, silver-loaded, high-porosity sorbents make for maximized iodine capture and less pressure drop in a column-based sorption system approach, however, this high porosity can lead to less mechanically stable sorbents. Additionally, waste forms containing silver must also be compliant with additional criteria for hazardous waste disposal. Thus, all these aspects must be considered simultaneously when selecting a sorbent for utilization under specific conditions. Information is given for different types of sorbent design considerations for different operating conditions and some emphasis is also given on promising alternatives for silver as the active (chemisorption-based) getter metal. Discussion is given around demonstrated options for waste forms for different metal-iodide compounds.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 24","pages":" 9515-9547"},"PeriodicalIF":5.2,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ma/d4ma00266k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142790335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unveiling the synergistic effect of an nZVI–SiO2–TiO2 nanocomposite for the remediation of dye contaminated wastewater†","authors":"Murtala Namakka, Md Rezaur Rahman, Khairul Anwar Mohamad Bin Said, King Kuok Kuok, Fahmi Asyadi Md Yusof, Muneera S. M. Al-Saleem, Jehan Y. Al-Humaidi and Mohammed M. Rahman","doi":"10.1039/D4MA00853G","DOIUrl":"https://doi.org/10.1039/D4MA00853G","url":null,"abstract":"<p >Water contamination and scarcity pose critical global challenges. Existing water remediation technologies such as membrane technologies lack hydrophilic surface properties, prompting the need for novel, highly efficient supportive materials. Photocatalysis emerges as a promising solution for degrading organic pollutants in wastewater. However, existing photocatalysts such as titanium dioxide (TiO<small>₂</small>) suffer from rapid recombination of photogenerated charge carriers and lower catalytic activity, hindering performance. Herein, a novel, high sorption capacity nZVI–SiO<small>₂</small>–TiO<small>₂</small> nanocomposite material was synthesized <em>via</em> a combined chemical reduction approach. The influence of synthesis pH and the synergistic effects of nZVI, SiO<small>₂</small>, and TiO<small>₂</small> on the physicochemical properties and overall performance of the nZVI–SiO<small>₂</small>–TiO<small>₂</small> nanocomposite were investigated. Three sets of nZVI–SiO<small>₂</small>–TiO<small>₂</small> nanocomposites were synthesized by varying synthesis pH from 2 to 4. MB dye degradation experiments and thermal analysis revealed that the nZVI–SiO<small>₂</small>–TiO<small>₂</small> nanocomposite synthesized under pH 2 synthesis conditions exhibited the fastest dye degradation rate, highest removal efficiency (100%), and thermal stability. Characterization techniques, including FTIR, EDS (energy dispersive X-ray spectroscopy), SEM, BET (Brunauer–Emmett–Teller), XRD, TGA (thermogravimetric analysis), and DSC (differential scanning calorimetry), revealed that lower nZVI–SiO<small>₂</small>–TiO<small>₂</small> synthesis pH enhanced the material's specific surface area, crystallinity, and the interfacial interactions of nZVI, SiO<small>₂</small>, and TiO<small>₂</small> components in the nanocomposite. The reusability test showed &gt;90% efficiency after 5 successive cycles. The sorption mechanism and methylene blue (MB) dye speciation test corroborated the synergistic adsorption and reduction potential of nZVI–SiO<small>₂</small>–TiO<small>₂</small> functional materials with 100% mineralized methylene blue (MB<small>⁺</small> species) at MB dye solution pH above 6.0. After economic considerations, it is believed that the exceptional adsorption and recycling abilities of the novel nZVI–SiO<small>₂</small>–TiO<small>₂</small> material, coupled with its thermal stability, could counterbalance its upfront expenses, potentially making it a feasible choice for wastewater treatment applications.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 23","pages":" 9292-9313"},"PeriodicalIF":5.2,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ma/d4ma00853g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142694711","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigating pressure-driven semiconductor-to-metal transition in lead-free perovskites AlGeX3 (X = F, Cl, and Br): insights from first-principles calculations†","authors":"Md. Amran Sarker, Md. Mehedi Hasan, Md. Rafiqul Islam, Md. Rabbi Talukder, Md. Rasidul Islam and Ahmed Sharif","doi":"10.1039/D4MA00611A","DOIUrl":"https://doi.org/10.1039/D4MA00611A","url":null,"abstract":"<p >In the pursuit of commercializing electronic and optoelectronic devices, researchers have turned their attention to non-toxic inorganic cubic metal halide perovskites. This study focuses on novel lead-free compounds—specifically AlGeX<small>₃</small> (where X = F, Cl, and Br) and examines their structural, electronic, optical, and mechanical properties under the application of hydrostatic pressure through density functional theory (DFT). The mechanical stability of all compounds is rigorously assessed using Born stability criteria and formation energy. The elastic investigations reveal that the materials have anisotropy, ductility, and good Machinenabilty index depending on the halide type and applied pressure. The pressure-dependent electronic band structures are calculated by GGA-PBE functional to demonstrate the intriguing behavior of the compounds. Band structures are also calculated by HSE06 functional without pressure. Further, the substitution of the halide F with Cl/Br leads to an indirect to direct band gap transformation. Additionally, increasing positive hydrostatic pressure results in a tunable band gap with decreasing trends for all the compounds leading them to transit from semiconductor to metallic state. This phenomenon is explained by the partial and total density of states (PDOS and TDOS). The improvement of pressure-dependent optical properties in both visible and UV regions makes them valuable contenders in the quest for efficient solar cells and other electronic and optoelectronic devices.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 22","pages":" 8970-8985"},"PeriodicalIF":5.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ma/d4ma00611a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598762","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dual cross-linked cellulose based hydrogel films†","authors":"Neethu Thomas, Saphia Moussaoui, Braulio Reyes-Suárez, Olivier Lafon and G. N. Manjunatha Reddy","doi":"10.1039/D4MA00815D","DOIUrl":"https://doi.org/10.1039/D4MA00815D","url":null,"abstract":"<p >Polymeric hydrogels and the associated structural assemblies are endowed with exceptional capabilities for applications in biomedicine, chemical biology, molecular electronics and wider energy paradigm. Cross-linking chemistry adds extra handles to tailor the gelation process and functional properties, surpassing those of traditional hydrogels. Here, we present molecularly tethered gelation of a cellulose (C) derivative by taking advantage of covalent and non-covalent interactions using organic and ionic linkers, respectively. The dual-cross-linked C-based hydrogels can be synthesized at a moderate temperature (∼70 °C) and processed into thin films using a programmable dip-coater at room temperature. The hydrogel films exhibited enhanced pH stability compared to the mono-cross-linked gels, were long-lived (over 180 days) and showed excellent ion-exchange properties. The gelation mechanism, local structures, and ion-exchange properties were corroborated by high-field (28.2 T, <small>¹</small>H = 1200 MHz) solid-state NMR spectroscopy. A facile gelation process enabled by covalent linkages, metal coordination, and multimodal characterization demonstrated here is expected to provide opportunities for a number of unexplored applications.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 23","pages":" 9210-9219"},"PeriodicalIF":5.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ma/d4ma00815d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142694705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A road for macroporous silicon stabilization by ultrathin ALD TiO2 coating†","authors":"Bachar Al Chimali, Irene Carrasco, Thomas Defforge, Romain Dailleau, Lisa Monnier, Kaushik Baishya, Jan M. Macak, Gael Gautier and Brice Le Borgne","doi":"10.1039/D4MA00654B","DOIUrl":"https://doi.org/10.1039/D4MA00654B","url":null,"abstract":"<p >Macroporous silicon films have great potential for a plethora of applications in optoelectronics and microelectronics. However, such layers are too electrically and chemically unstable to be used in fuel cells, supercapacitors or any devices requiring the use of an electrolyte. This is due to their high surface-to-volume ratio, which makes them prone to chemical reactions, such as photo-oxidation, especially in aqueous media. In this work, we investigated how to exploit the capabilities of macroporous silicon while avoiding its oxidation. To do so, we explored the influence of ultrathin TiO<small>₂</small> films by atomic layer deposition (ALD) onto the walls of silicon macropores, created by electrochemical etching from n-type wafers. Using microscopy and optical analysis, we demonstrate the achievability of ALD coating on macroporous silicon, as well as the stability of these films against oxidation. In particular, we show that 5 ALD cycles that correspond to less than 1 nm thin coating are sufficient to passivate the silicon surface. The coated and uncoated layers were analyzed and compared before and after exposure to water and sunlight. The monitoring of the Si–O–Si band area evolution over 29 days gave no evidence of photo-corrosion. In addition, the wettability of the samples did not change after functionalization. Finally, to investigate the oxidation prevention for photocatalytic applications, we showed that methylene blue degradation rates were significantly increased (by 50% on average) for 10 nm TiO<small>₂</small> ALD-coated porous silicon samples when compared to natural degradation. Interestingly, layers thinner than 1 nm also showed enhanced catalytic kinetics for short times (<em>t</em> &lt; 40 min).</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 23","pages":" 9270-9278"},"PeriodicalIF":5.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ma/d4ma00654b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142694709","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green fluorescent protein chromophore-based covalent organic polymers (GFPC-COPs): sensing of nitroaromatic organic pollutants and explosives†","authors":"Gulshan Anjum, Ashish Kumar, Gurunath Ramanathan and Jarugu Narasimha Moorthy","doi":"10.1039/D4MA00811A","DOIUrl":"https://doi.org/10.1039/D4MA00811A","url":null,"abstract":"<p >Green fluorescent protein (GFP) is extremely fluorescent in nature, and the chromophore that is responsible for the remarkable fluorescence has been identified as the benzylidene imidazolinone moiety. Emulation of high fluorescence, such as that observed in GFP in synthetic models, is thwarted by rapid bond rotation about C<img>C and C–C bonds in the singlet-excited state. We have rationally designed and developed four covalent organic polymers (COPs) based on two di- and trihydroxy-substituted GFP chromophores, that is, (<em>Z</em>)-4-(4-hydroxybenzylidene)-1-(4-hydroxyphenyl)-2-phenyl-5-imidazolinone (<strong>DHI</strong>) and (<em>Z</em>)-4-(4-hydroxybenzylidene)-1,2-bis(4-hydroxyphenyl)-5-imidazolinone (<strong>THI</strong>), to emulate the fluorescence properties of GFP. Of the four polymers, two polymers based on <strong>DHI</strong> and <strong>THI</strong> were found to exhibit the highest solid-state fluorescence quantum yields of 83 and 73%, respectively. They are porous and their BET surface areas based on CO<small>₂</small> sorption studies at 195 K were found to be 107.9 and 164.8 m<small>²</small> g<small>⁻¹</small>. AFM analyses of the two polymeric materials revealed that the polymer based on <strong>DHI</strong> is comprised of nanosheets, while that based on <strong>THI</strong> exhibits a nanosphere morphology. It is shown that both polymers can be employed as sensory materials for the selective sensing of nitroaromatic compounds (NACs) containing acidic hydrogens, that is, nitrophenols, nitrothiophenols, and nitroanilines. The quenching efficiencies are found to be more than 80% for these NACs. For example, 4-nitroaniline (4-NA) and picric acid (TNP) are sensed at sub-ppm levels by the suspensions of the GFPC-COPs. Furthermore, the COP based on <strong>THI</strong> is demonstrated to serve as a mop for rapid adsorption of TNP; the latter is shown to be adsorbed by the COP by more than 50% from its solution in methanol within 10 min. The results exemplify the potential of innovative biomimetic design principles as applied to materials development and sensing technology.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 23","pages":" 9279-9291"},"PeriodicalIF":5.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ma/d4ma00811a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142694710","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Minimalist columnar liquid crystals: influence of fluorination on the mesogenic behavior of tetramethoxytriphenylene derivatives†","authors":"Parikshit Guragain, Mitchell Powers, Brett Ellman and Robert J Twieg","doi":"10.1039/D4MA00933A","DOIUrl":"https://doi.org/10.1039/D4MA00933A","url":null,"abstract":"<p >Conventional columnar liquid crystals are almost invariably functionalized with multiple long aliphatic tails. In contrast, the molecule 1,2,3,4-tetrafluoro-6,7,10,11-tetramethoxytriphenylene is unusual as it has a broad columnar mesophase despite the fact that it has only four minimal-length methoxy tails distributed equally in two rings. Here, the full set of analogous tetramethoxytriphenylene molecules with zero to four fluorine atoms in the remaining ring are synthesized using photocyclodehydrofluorination (PCDHF) or a modified Scholl process for the final ring closure reaction, and their mesogenic properties are examined. Six out of the ten target molecules were found to be mesogenic. We found that a minimum of two fluorine substituents are required to form the mesophase, and one of them must be at the 1-position. These extremely short-tailed columnar liquid crystals possess a relatively simple molecular structure and can serve as model systems for understanding the interactions that are fundamental to the formation of a columnar mesophase, its properties and potential applications.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 22","pages":" 9032-9040"},"PeriodicalIF":5.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ma/d4ma00933a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598767","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Characterization of reactively sputter deposited CuCrO2 thin films using Cu and Cr targets","authors":"Akash Hari Bharath and Kalpathy B. Sundaram","doi":"10.1039/D4MA00799A","DOIUrl":"https://doi.org/10.1039/D4MA00799A","url":null,"abstract":"<p >In this research, single phase delafossite CuCrO<small>₂</small> thin films were successfully synthesized using dual sputtering technique. A DC source was employed for the copper target, whereas the chromium target was sputtered using an RF source with oxygen acting as the reactive gas. The films were sputtered on a quartz substrate at 400 °C. The sputtering power for chromium was maintained at 100 W, while the power for copper ranged from 10 W to 40 W. Following deposition, the films were annealed in a nitrogen environment for 10 hours at 800 °C. XRD examination confirmed that single-phase CuCrO<small>₂</small> was achieved with a copper target power of 20 W. The findings of the XRD investigation were further validated by XPS analysis. Cu : Cr at% composition ratio of 1 : 1 : 04 was obtained when deposited at a power of 20 W. SEM grain sizes ranged from 100 nm to 150 nm optical studies indicated an optical transmission of 57.5% and a bandgap of 3.08 eV. The single-phase film demonstrated a resistivity of 28.6 Ω cm.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 22","pages":" 8919-8926"},"PeriodicalIF":5.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ma/d4ma00799a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598738","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Role of intermolecular charge transfer towards fluorometric detection of fluoride ions with anthrapyrazolone derivatives†","authors":"Gomathi Sivakumar, Anashwara Babu, Anubhab Das, Mageshwari Anandhan, Venkatramaiah Nutalapati and Samarendra Maji","doi":"10.1039/D4MA00738G","DOIUrl":"https://doi.org/10.1039/D4MA00738G","url":null,"abstract":"<p >Anion detection using small molecules as chemosensors holds significant importance in the biological and environmental fields, offering several advantages over conventional methods. In this report, we have developed three anthrapyrazolone derivatives, namely 2,7-dihydrobenzo[1,2,3-<em>cd</em>:4,5,6-<em>c</em>′<em>d</em>′]bis(indazole) (<strong>DHBBI</strong>), 2-(benzo[1,2,3-<em>cd</em>:4,5,6-<em>c</em>′]bis(indazole)-2(7<em>H</em>)-yl)ethanol (<strong>DHBBI-OH</strong>), and 2,2′-(benzo[1,2,3-<em>cd</em>:4,5,6-<em>c</em>′<em>d</em>′]bis(indazole)-2,7-diyl)diethanol (<strong>DHBBI-2-OH</strong>), utilizing straightforward chemical reactions. These compounds were investigated for the fluorometric detection of a series of anions <em>viz.</em> F<small>⁻</small>, Cl<small>⁻</small>, Br<small>⁻</small>, I<small>⁻</small>, OH<small>⁻</small>, CN<small>⁻</small>, ClO<small>₄</small><small>⁻</small>, SO<small>₄</small><small>²⁻</small>, NO<small>₃</small><small>⁻</small> and SCN<small>⁻</small> in the form of tetrabutylammonium salts. Detailed photophysical and mechanistic investigations were conducted to understand the interactions of three fluorophores with different anions. Fluorescence analysis showed considerable changes in the emission intensity of the three fluorophores in the presence of a series of anions as mentioned earlier. Among the synthesized molecules, <strong>DHBBI</strong> (<em>K</em><small>_sv</small> = 11.6 × 10<small>⁴</small> M<small>⁻¹</small>) exhibited the highest selectivity with ∼1.30 and 1.80 fold higher association rate constants and sensitivity with a limit of detection of ∼10.3 mM towards F<small>⁻</small> ions compared to <strong>DHBBI-OH</strong> and <strong>DHBBI-2-OH</strong>. The selectivity and sensitivity towards F<small>⁻</small> ions were demonstrated in light of hydrogen-bonding interactions between <strong>DHBBI</strong> and F<small>⁻</small> ions. Additionally, DFT and TDDFT studies were employed for <strong>DHBBI</strong> and its derivatives to investigate their structural insights and electronic properties comprehensively.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 22","pages":" 8909-8918"},"PeriodicalIF":5.2,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ma/d4ma00738g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}