Chemical Physics Impact最新文献

{"title":"Adsorption of Mo and O at S-vacancy on ReS2 surface of ReS2/MoTe2 vdW heterointerface","authors":"Puneet Kumar Shaw ,&nbsp;Jehan Taraporewalla ,&nbsp;Sohaib Raza ,&nbsp;Akash Kumar ,&nbsp;Rimisha Duttagupta ,&nbsp;Hafizur Rahaman ,&nbsp;Dipankar Saha","doi":"10.1016/j.chphi.2025.100817","DOIUrl":"10.1016/j.chphi.2025.100817","url":null,"abstract":"<div><div>Applications like high density information storage, neuromorphic computing, nanophotonics, etc. require ultra-thin electronic devices which can be controlled with applied electric field. Of late, atomically thin two-dimensional (2D) materials based van der Waals (vdW) heterointerfaces have emerged as suitable candidates for ultra-low power nanoelectric devices. In this work, employing density functional theory (DFT), the monolayer ReS₂/monolayer MoTe₂ vdW heterostructure with Sulfur vacancy is studied to examine various ground state electronic properties. Here, we emphasize the changes in effective band gap owing to defect-induced states as well as modulation of the energy gap value with Molybdenum (Mo) and Oxygen (O) adsorption at the defect site. Nanoscaled devices based on atom-thin 2D layered materials, exhibit promising switching between non-conducting and conducting states. Therefore, determining the role of defect-induced states and the adsorption of atoms/molecules on surfaces is crucial. Moreover, a detailed theoretical study to determine surface properties and relative energetic stability of the vdW heterostructures is carried out. The charge re-distribution between the constituent layers is also analyzed by obtaining Electron Difference Density (EDD) for different heterointerfaces. Nonetheless, the efficacy of switching between non-conducting and conducting states is assessed based on the adsorption energy of adatoms binding at the defect site.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100817"},"PeriodicalIF":3.8,"publicationDate":"2025-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143178485","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":"Microwave-assisted synthesis and swelling behavior of poly lactic acid (PLA) grafted Cordia dichotoma gum-based hydrogels","authors":"Jyoti Sinha ,&nbsp;Abubakar Hamisu Mijinyawa ,&nbsp;Faisal Islam Chowdhury ,&nbsp;Muhd Zu Azhan Yahya ,&nbsp;Pramod Kumar Singh ,&nbsp;Geeta Durga","doi":"10.1016/j.chphi.2025.100825","DOIUrl":"10.1016/j.chphi.2025.100825","url":null,"abstract":"<div><div>GBHs, or gum-based hydrogels, or superabsorbents, are derived from natural gums. In their unmodified form, these natural polysaccharides may be limited in their application due to physical matrix erosion caused by intensive swelling. Therefore, tailoring their structure to achieve desired swelling properties is crucial. In this study, a biodegradable gum (<em>CDG</em>) was extracted from <em>Cordia dichotoma</em> fruits using ethanol, and its corresponding grafted copolymer <em>aka CDG-g-PLA</em> was synthesized <strong>for the first time</strong> by graft copolymerization of poly (lactic acid) (PLA) onto the backbone of <em>CDG</em> by exposure to microwave irradiation. The synthesized <em>CDG-g-PLA</em> copolymer was characterized by FTIR, SEM, XRD, TGA, DSC, and DLS measurements <strong>to study its physico-chemical properties</strong>. The FTIR analysis proved the grafting of PLA at the –OH group on the backbone of <em>CDG</em> biopolymer which was supported by all other characterizations. The XRD patterns showed a broad peak at 2θ = 26.4 for <em>CDG-g-PLA</em> confirming its amorphous nature. DLS measurements exhibited that particles in the <em>CDG</em> and <em>CDG-g-PLA</em> copolymer formed a coarse suspension in water with particle sizes &gt; 1 µm. The negative value of zeta potential results confirmed the hydrogels to be anionic. The swelling of <em>CDG-g-PLA</em> in water was measured and found to be significantly lower than <em>CDG</em>, making them <strong>novel</strong> candidates for <strong>drug-delivery</strong> and <strong>sustainable</strong> food packaging applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100825"},"PeriodicalIF":3.8,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143179949","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":"Mn-doped ZnO thin films as a platform for reagentless uric acid biosensor","authors":"Bilasini Devi Naorem ,&nbsp;Jatinder Pal Singh ,&nbsp;Babita Sharma ,&nbsp;Satyam Garg ,&nbsp;Athira C ,&nbsp;Hashima Sherin ,&nbsp;Mahima Momaliya ,&nbsp;Muskan ,&nbsp;Shubhi Sahu ,&nbsp;Arijit Chowdhuri ,&nbsp;Mallika Verma ,&nbsp;Monika Tomar ,&nbsp;Neha Batra","doi":"10.1016/j.chphi.2025.100823","DOIUrl":"10.1016/j.chphi.2025.100823","url":null,"abstract":"<div><div>In this study, sol gel technique is used to fabricate manganese (Mn) doped ZnO thin films and further utilize them as a platform for uric acid biosensors. The objective was to introduce manganese into the ZnO matrix to enhance its redox properties, capitalizing on the multivalent nature of manganese. The Mn-doped thin films of concentrations varying from 3 %,5 %,7 % and 10 % were prepared and further characterized using UV–vis spectroscopy, X-ray diffraction (XRD) spectroscopy, Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM) and cyclic voltammetry (CV) measurements. The ZnO thin films with 7 % doping of Mn exhibited improved redox behaviour, as evident by the distinct redox peaks. In order to immobilise the uricase enzyme, the 7 % Mn doped composition was used, creating a highly sensitive and focused uric acid detection platform. The fabricated biosensor exhibits excellent performance in terms of sensitivity (40 µAmM^-1cm^-2), selectivity with &lt;5 % deviation found in presence of other known markers present in human sera, and shelf life &gt;12 weeks, enabling precise and sensitive uric acid detection. This study brings to light an alternate approach in developing point of care biosensors using transition metal doped ZnO thin films.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100823"},"PeriodicalIF":3.8,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143178486","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":"Molecular insights into the structural, spectroscopic, chemical shift characteristics, and molecular docking analysis of the carbamate insecticide fenobucarb","authors":"K. KrishnaKumar ,&nbsp;M. Jenifer ,&nbsp;T.J. Nandhini ,&nbsp;M. Sridharan ,&nbsp;G. Sabarinathan ,&nbsp;Pallavi M. Shanthappa","doi":"10.1016/j.chphi.2025.100822","DOIUrl":"10.1016/j.chphi.2025.100822","url":null,"abstract":"<div><div>In this study, fenobucarb a carbamate pesticide has been analyzed for its structural, spectroscopic (FT-IR and FT-Raman), electronic (UV–Vis.), chemical shifts (NMR) and topological, and bioactivity using the theoretical DFT technique. In optimized geometry, the computed bond distance of N3-H29 is reduced compared to other bond distances. This reduction is attributed by electron-with drawing in the carbonyl group. Carbon atoms C8 and C14 are bonded to single-bonded and double-bonded oxygen atoms, resulting in increased resonance signals at 157.87 ppm and 159.19 ppm, respectively, attributed to the oxygen atoms deshielding effects. NBO analysis computed increased stabilizing energy at 34.05 kcal/mol by electron-donating from lone pair (LP) oxygen (O2) to the antibonding O1-C14. The topological analysis emphasizes the shielding and deshielding regions within the molecular structure of fenobucarb. Molecular docking analysis revealed that fenobucarb forms hydrogen bonds and hydrophobic interactions with the target protein, exhibiting a binding energy of -5.75 kcal/mol, confirming its antibacterial activity.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100822"},"PeriodicalIF":3.8,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143179948","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":"Bio- synthesis zinc oxide nanoparticle: Azadirachta indica and Phyllanthus acidus mediated green approach for enhanced biological efficacy","authors":"G. Joesna ,&nbsp;Abdullah Alodhayb ,&nbsp;P. Sasikumar ,&nbsp;T. Lalitha Sree ,&nbsp;R. Zema Ferin ,&nbsp;D. Sankar ,&nbsp;A. Prabakaran ,&nbsp;M. Prasath ,&nbsp;Muthumareeswaran Muthuramamoorthy ,&nbsp;M. Gulam Mohamed ,&nbsp;M. Vimalan","doi":"10.1016/j.chphi.2025.100821","DOIUrl":"10.1016/j.chphi.2025.100821","url":null,"abstract":"<div><div>The current research involved the synthesis of ZnO nanoparticles from the leaf and fruit extracts of Azaratchida indica and Phyllanthus acidus. ZnO nanoparticles exhibit diversified applications in medicine, agriculture and food industry. The synthesized nanoparticles were characterized using techniques such as Powder X-ray Diffraction (PXRD) and High-Resolution Transmission Electron Microscopy (HRTEM) studies which showed the shape and size of nanoparticles to be spherical with 16 mm and 20 mm. Invitro biological effects of ZnO NPs were studied including antidiabetic, antiinflammatory, anticancer, antibacterial, antifungal and DNA protection nicking assay. The synthesized ZnO NPs demonstrated cytotoxic effects on the cell lines at higher concentration. However, there was a significant increase in the inhibition of alpha amylase and alpha- glucosidase activity. Similar results were obtained in the study of antiinflammatory activity of ZnO NPs. The nanoparticles of ZnO showed prominent antibacterial and antifungal activity against E. coli, S aureus, K pneumoniae, S.typhi, Candida albicans and Aspergillus species respectively. DNA nicking protection assay studies have also shown pronounced anticancer effects. The Fourier-transform infrared (FTIR) spectrum indicates the presence of Zn-O stretching vibrations, confirming the formation of zinc oxide bonds. These findings confirms that ZnO nanoparticles from these extracts have properties that can be used safely and efficiently.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100821"},"PeriodicalIF":3.8,"publicationDate":"2025-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143179950","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":"Advanced TiO2-polypyrrole nanostructures enhance glucose detection accuracy with cutting-edge non-enzymatic electrochemical capabilities","authors":"Ashima Thakur ,&nbsp;Sweety Pal ,&nbsp;Usha Sharma ,&nbsp;Ajit Sharma ,&nbsp;Meenakshi Choudhary ,&nbsp;Mukesh C. Joshi ,&nbsp;Herma Dina Setiabudi ,&nbsp;Prabal Pratap Singh ,&nbsp;Atheesha Singh ,&nbsp;Sudheesh K. Shukla","doi":"10.1016/j.chphi.2025.100818","DOIUrl":"10.1016/j.chphi.2025.100818","url":null,"abstract":"<div><div>High level of glucose in the blood lead to a serious disease especially in the heart, blood vessels, eyes, kidney &amp; nerves etc. in human and thus its detection has an important aspect in medical sector and food industry as well. According to World Health organization (WHO), it was speculated that the number of overall diabetes's patient will increase globally by 2025. Thus, there is a notable need for the glucose sensors that may give quick response, extremely sensitive and economically sound to the regular blood glucose monitoring. In this study we have developed and deigned a cheapest, reliable and high performance TiO₂-Polypyrrole (TiO₂-PPy) nanocomposite based non-enzymatic electrochemical sensor for glucose detection. This hybrid nanostructured material has shown excellent electro catalytic properties toward glucose oxidation due to its high surface area. The resulting material were characterized by an optical and electrochemical techniques to validate its structural architecture and catalytic activity. Electrochemical studies revealed that the TiO₂-PPy nanocomposite based sensor exhibited remarkable stability and sensitivity towards non-enzymatic glucose detection. The developed non-enzymatic glucose detection sensor demonstrated sensitivity of 678.57 <em>μ</em>AmM⁻¹cm² with linear range of 0 mM to 5.5 mM The enhanced performance is attributed to the synergistic effects of both the metallic as well as polymer moieties in the nanocomposite, where polypyrrole provides an outstanding conductive network for an efficient electron transfer, while TiO₂ offers an active Centre for oxidation of glucose molecule. Additionally, TiO₂-PPy the sensor confirmed the excellent stability and reproducibility, along with strong potential for practical application in real sample analysis. Therefore, the proposed nanocomposite holds great promise for the development of sustainable and environmentally friendly glucose sensing devices.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100818"},"PeriodicalIF":3.8,"publicationDate":"2025-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143179486","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":"Synthesis and luminescence properties of Na3SrB5O10:Eu3+ glass samples for solid-state lighting application","authors":"Amruta Gaikwad ,&nbsp;Yatish R. Parauha ,&nbsp;Kamlesh V Dabre ,&nbsp;S.J. Dhoble","doi":"10.1016/j.chphi.2025.100815","DOIUrl":"10.1016/j.chphi.2025.100815","url":null,"abstract":"<div><div>Borate materials are very beneficial for optical materials due to its wide transparency range, huge electronic band gap, thermal and chemical durability, low preparative temperature, and high optical damage threshold. Na₃SrB₅O₁₀ glasses were synthesized through a melt quenching technique followed by a sintering process, incorporating various concentrations of Eu³⁺ ions. The XRD pattern of the prepared glass sample indicates an amorphous pattern, vibrational feature of the prepared glass sample has been investigated using FT-IR analysis. Photoluminescence study of Eu³⁺ activated Na₃SrB₅O₁₀ glass sample shows multiple emission peaks under NUV excitations in the red region. The prepared glass samples show orange-red emission bands at 595 nm and 615 nm, respectively, under the excitation of 395 nm and 465 nm. The red emission band is stronger than the orange emission band. The intense emission band was detected for doping of 2.5 mol% concentration of Eu³⁺ ions. In addition, CIE color coordinate, color purity and color correlated temperature (CCT) were determined using color calculator. The above results suggested that the Eu3+-activated Na₃SrB₅O₁₀ glass samples have huge potential for lighting and display applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100815"},"PeriodicalIF":3.8,"publicationDate":"2025-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143179945","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":"Impact of concentration of Bi2O3 on gamma ray shielding efficiency of BaTiO3 composite ceramics","authors":"Rama Kumar Nodagala ,&nbsp;Tejeswara Rao Ponnada ,&nbsp;Balaji Rao Ravuri","doi":"10.1016/j.chphi.2025.100819","DOIUrl":"10.1016/j.chphi.2025.100819","url":null,"abstract":"<div><div>This study primary goal is to provide information on the structural changes and improved radiation shielding qualities of BaTiO₃ (barium titanate) ceramics that have been added to Bi₂O₃ (bismuth trioxide) compound, which is made using a solid-state reaction technique. The tetragonal perovskite structure of the BaTiO₃ ceramics was verified by both Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) analysis before and after the addition of xBi₂O₃ at concentrations of <em>x</em> = 0,2,4,6, and 8 wt%. The FESEM technique was used to investigate the prepared samples morphological study. The results showed that as concentration enhanced, the grain size reduced from 49.4 nm to 43.1 nm, and the findings agreed with the XRD data. Radiation attenuation between photon energy range 356 keV to 1333 keV was estimated using prepared samples by scintillation detector NaI(TI) from radioactive sources such as 133_Ba, 60_Co, and 22_Na. An essential attenuation property is the mass attenuation coefficient (MAC), which is calculated using acquired linear attenuation coefficient (LAC) values. Other characteristics related to radiation shielding parameters such as mean free path (MFP), half-value layer (HVL), tenth-value layer (TVL), effective atomic number (Z_eff), effective electron density (N_eff), and effective conductivity (C_eff) were also assessed. The theoretical values were obtained from Phy-X/PSD software and compared with experimental values, and a slight difference was found between theoretical and experimental values. Finally, compound BaTiO₃-xBi₂O₃ with <em>x</em> = 8wt%, that is, the BTBi5 sample showed the highest shielding properties compared with other samples due to its high density after enhancing the Bi₂O₃ concentration.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100819"},"PeriodicalIF":3.8,"publicationDate":"2025-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143179946","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":"Synthesis and characterization of lithium transition orthosilicates Li2FexMn1-xSiO4 as cathode material","authors":"Ritesh Kumar ,&nbsp;A.L. Sharma ,&nbsp;R.K. Singh ,&nbsp;Arvind Kumar ,&nbsp;Pramod K. Singh ,&nbsp;M.Z.A. Yahya ,&nbsp;S.N.F. Yusuf ,&nbsp;Markus Diantoro ,&nbsp;Manoj K. Singh","doi":"10.1016/j.chphi.2025.100814","DOIUrl":"10.1016/j.chphi.2025.100814","url":null,"abstract":"<div><div>Recently, lithium metal orthosilicates Li₂FeSiO₄ and Li₂MnSiO₄ are attracted attention as a cathode material for Li-ion batteries. Here, Li₂Fe_xMn_1-xSiO₄ (<em>x</em> = 0.3, 0.5, 0.7) cathode materials are synthesized by using sol-gel method, and physically characterized via X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), and Energy dispersive X-ray (EDX). The FESEM images confirm the cubical shape particles in nanometers scale. The EDX mapping indicates the presence of iron, manganese, and silicates in different samples. The Li-ion batteries are assembled with gel polymer electrolyte PVdF-HFP/LiClO₄/EC-PC, and Li₂Fe_xMn_1-xSiO₄ (<em>x</em>=0.3, 0.5, 0.7) cathode and graphite anode. The assembled cells are electrochemically characterized by cyclic voltammetry (CV), and galvanostatic charge-discharge (GCD) techniques. It is observed that the oxidation and reduction peaks of the cells shifted as scan rate increases which indicate the charge transfers are diffusion controlled at the interface. The cell Li₂Fe_0.5Mn_0.5SiO₄//graphite offers highest discharge capacity∼220 mAh g⁻¹ at 1 mA cm⁻².</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100814"},"PeriodicalIF":3.8,"publicationDate":"2025-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143179480","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":"Manganese metal organic frame work assisted magnetic ionic liquid single crystal","authors":"Naima Sharmin,&nbsp;Md. Jahidul Islam","doi":"10.1016/j.chphi.2025.100816","DOIUrl":"10.1016/j.chphi.2025.100816","url":null,"abstract":"&lt;div&gt;&lt;div&gt;This research focuses on the synthesis and characterization of a &lt;strong&gt;Metal-Organic Framework Assisted Ionic Liquid&lt;/strong&gt; (&lt;strong&gt;MOFIL&lt;/strong&gt;) with the chemical formula of [Mn(Cy)(R)&lt;sub&gt;2&lt;/sub&gt;]R·2H&lt;sub&gt;2&lt;/sub&gt;O; where, Cy is cyclam- (1,4,8,11-tetraazacyclotetradecane) and R is 4-tetradecyloxy benzoate- &lt;strong&gt;(&lt;/strong&gt;4-CH&lt;sub&gt;3&lt;/sub&gt;(CH&lt;sub&gt;2&lt;/sub&gt;)&lt;sub&gt;13&lt;/sub&gt;OC&lt;sub&gt;6&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt;COO&lt;sup&gt;-&lt;/sup&gt;). This novel ionic liquid crystal is synthesized in a multistep process. The first precursor compound ethyl 4-tetradecyloxy benzoate, 4-CH&lt;sub&gt;3&lt;/sub&gt;(CH&lt;sub&gt;2&lt;/sub&gt;)&lt;sub&gt;13&lt;/sub&gt;OC&lt;sub&gt;6&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt;COOC&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;5&lt;/sub&gt; (&lt;strong&gt;A&lt;/strong&gt;) is obtained from a reaction in between the ethyl 4‑hydroxy benzoate, 4-HOC&lt;sub&gt;6&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt;COOC&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;5&lt;/sub&gt; and 1-bromotetradecane, CH&lt;sub&gt;3&lt;/sub&gt;(CH&lt;sub&gt;2&lt;/sub&gt;)&lt;sub&gt;13&lt;/sub&gt;Br. Precursor &lt;strong&gt;A&lt;/strong&gt; is further reacted with potassium hydroxide, KOH to yield the 2nd precursor a potassium salt of ethyl 4-tetradecyloxy benzoate, 4-CH&lt;sub&gt;3&lt;/sub&gt;(CH&lt;sub&gt;2&lt;/sub&gt;)&lt;sub&gt;13&lt;/sub&gt;OC&lt;sub&gt;6&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt;COOK (&lt;strong&gt;B&lt;/strong&gt;). Then the precursor &lt;strong&gt;B&lt;/strong&gt; is reacted with manganese chloride tetrahydrate, MnCl&lt;sub&gt;2&lt;/sub&gt;·4H&lt;sub&gt;2&lt;/sub&gt;O to synthesize the dinuclear Manganese (II) carboxylate intermediate compound, [Mn&lt;sub&gt;2&lt;/sub&gt;(R)&lt;sub&gt;4&lt;/sub&gt;(H&lt;sub&gt;2&lt;/sub&gt;O)&lt;sub&gt;4&lt;/sub&gt;] (&lt;strong&gt;1&lt;/strong&gt;). Finally, the addition of cyclam to compound (&lt;strong&gt;1&lt;/strong&gt;) results in the targeted mononuclear &lt;strong&gt;MOFIL&lt;/strong&gt; compound with cyclam&lt;strong&gt;,&lt;/strong&gt; [Mn(Cy)(R)&lt;sub&gt;2&lt;/sub&gt;]R·2H&lt;sub&gt;2&lt;/sub&gt;O (&lt;strong&gt;2&lt;/strong&gt;). This article reports the synthetic procedure and structural elucidation of this &lt;strong&gt;MOFIL&lt;/strong&gt; compound (&lt;strong&gt;2&lt;/strong&gt;) along with its precursors (&lt;strong&gt;A&lt;/strong&gt; and &lt;strong&gt;B&lt;/strong&gt;) and intermediate (&lt;strong&gt;1&lt;/strong&gt;) compound by Fourier Transform Infra-Red (FTIR) spectroscopy, Ultraviolet- Visible (UV- Vis) spectroscopy, and single crystal X-ray crystallography. In addition, the magnetic, thermal, and optical studies of the final &lt;strong&gt;MOFIL&lt;/strong&gt; (&lt;strong&gt;2&lt;/strong&gt;) and its dinuclear intermediate compound (&lt;strong&gt;1&lt;/strong&gt;) are also presented. The dinuclear intermediate, (&lt;strong&gt;1&lt;/strong&gt;) having a higher melting temperature around 150 °C and no development of optical texture as observed by Optical Polarizing Microscope (OPM) and Differential Scanning Calorimetric (DSC) data; doesn't fulfil the criteria of being a &lt;strong&gt;MOFIL&lt;/strong&gt;. In contrast, the mononuclear final compound, (&lt;strong&gt;2&lt;/strong&gt;) with cyclam, is crystallized in triclinic system, showing distorted octahedral N4O2 geometry around a mononuclear &lt;em&gt;d&lt;/em&gt;&lt;sup&gt;4&lt;/sup&gt; Mn(III) centre; that is further evidenced by it's µ&lt;sub&gt;eff&lt;/sub&gt; value of 4.6 BM., calculated from room temperature magnetic susceptibility measurement. Compound (&lt;strong&gt;2&lt;/strong&gt;) is thermally stable (T&lt;sub&gt;dec&lt;/sub&gt;, 242 °C) according to Thermogravimetric ","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"10 ","pages":"Article 100816"},"PeriodicalIF":3.8,"publicationDate":"2025-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143179612","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}