Article
Chemistry, Physical
Yuxin Jiang, Xinyuan Zhang, Xianzhen Xu, Shida Gong, Zonghua Wang, Yu Zhou
Summary: Studies have shown that mixing two or more ionic liquids (IL) to form IL mixtures has become a new research hotspot for designing ILs with desirable properties. However, there have been fewer fundamental studies on the interactions and mixing behaviors of IL mixtures. In this work, two ILs containing the same cation [EMIM]+ were used to prepare IL mixtures, and their mixing behavior was investigated through experimental methods and quantum chemical calculations. The main conclusions are: (1) DMSO forms stronger hydrogen bonds with EMIMTFSI than with EMIMBF4. (2) The addition of EMIMBF4 weakens the hydrogen bonding interactions in the EMIMTFSI-EMIMBF4 system and strengthens the coulombic interactions. (3) With dilution, the C2-H bond experiences the smallest changes, suggesting that it remains the main interaction site. (4) New formation complexes between EMIMBF4 and EMIMTFSI were confirmed through excess infrared spectra.
Article
Spectroscopy
Ariel L. Cappelletti, Noelia D. Machado, Alicia V. Veglia
Summary: The interaction between ionic liquid (EMIMBr) and macrocyclic compound (TC4) in solution was studied, showing a decrease in TC4 fluorescence intensity caused by EMIMBr. The quenching constants, fluorescence lifetime, and anisotropy provided evidence of the EMIMBr-TC4 interaction. Using TC4 as an indirect sensor, a low LOD for calibration of EMIMBr was achieved.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Engineering, Chemical
Li-Chi Hung, Nai-Hsin Pan
Summary: This study investigates the thermal behavior of the ionic liquid [EMIM][Tf2N] and reveals its reactivity hazard at high temperatures, providing valuable thermal safety data for sustainable construction applications. The study also considers the impact of different storage containers on thermal safety.
Article
Chemistry, Physical
Kana Ishisone, Guido Ori, Mauro Boero
Summary: This study provides a detailed insight into the structural and electronic interactions in the ionic liquid targeted for low-power electronics and optoelectronic devices. Through first principles dynamical simulations and long-lasting dynamical simulations, the nature of bonding and non-bonding interactions, conformational changes, induced dipole moments, and the mobilities of the ionic species are revealed. Additionally, the analysis of the electronic structure and charge distributions helps to understand the electrostatic interactions, hydrogen bonding properties, and the infra-red and dielectric response of the system.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Thermodynamics
Jan Pavlicek, Grozdana Bogdanic, Ivan Wichterle
Summary: In this study, vapor-liquid equilibrium data near azeotropic points of the title system were measured at different temperatures. A newly-developed method based on relatively small amounts of input data was used to process the data, providing a thermodynamic description of azeotropic behavior.
FLUID PHASE EQUILIBRIA
(2022)
Article
Engineering, Electrical & Electronic
J. Beena, A. S. Jebamalar, S. Sindhusha, T. Kamalesh
Summary: In this study, semi-organic nonlinear optical single crystals of Hexaaqua-Cobalt (II) bis (p-Toluene sulfonate) (PTCO) were grown at ambient temperature using slow evaporation technique. The crystal structure and properties of PTCO were analyzed by various methods including X-ray diffraction, FTIR, UV-Vis-NIR, photoluminescence, and dielectric constant measurements. The results showed that PTCO exhibits excellent optical and nonlinear optical properties, as well as semiconducting behavior.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Chemistry, Physical
Kenneth R. Harris, Mitsuhiro Kanakubo
Summary: This study reports new high-pressure self-diffusion data for an ionic liquid. The results indicate that the activation volumes of the cation and anion in the liquid are equal, suggesting similar mass transport behavior under pressure.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Fabien Krebs, Oliver Hoefft, Frank Endres
Summary: The interface between ionic liquids (ILs) and metals, particularly in electrochemical deposition and nanoscale tribology applications, was studied. The interaction between [Py-1,Py-4]TFSI and [EMIm]TFSI ILs and platinum was found to be minimal, while strong interaction with the surface was observed in the case of [EMIm]TFSI. On the other hand, massive decomposition of both ILs occurred on the aluminum surface. The spectra revealed cleavage of C-F or N-S bonds in the [TFSI](-) anion and the appearance of various decomposition products at the interface.
Article
Chemistry, Physical
Chang-Fei Yu, Shang-Hao Liu, Rui Xia, Ke-Fan Wu
Summary: This study investigates the thermal stability and decomposition characteristics of an imidazole ionic liquid 1-ethyl-3-methylimidazolium bis(trifluor omethylsulfonyl)imide ([Emim][NTf2]). The research combines experimental and theoretical methods to provide insights into the thermal decomposition behavior of ionic liquids.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Thermodynamics
Yicang Guo, Fengming Shi, Qipeng Shu, Xiaoyong Yue, Cheng Wang, Lei Tao, Jinlong Li
Summary: This study experimentally determined the liquid-liquid equilibrium data for several ionic liquids and their mixtures, showing improved separation performance compared to traditional sulfolane solvent. The selected ionic liquids exhibited higher molar distribution coefficient or selectivity, suggesting they could be potential substitutes for sulfolane in industrial applications.
FLUID PHASE EQUILIBRIA
(2021)
Article
Chemistry, Physical
Piotr Wrobel, Piotr Kubisiak, Andrzej Eilmes
Summary: Simulations of EMIM-TFSI ionic liquid and water mixtures using ab initio molecular dynamics revealed that hydrogen bonds between EMIM cations and TFSI anions are replaced by water molecules with increasing water content. Furthermore, the total number of bonds formed by TFSI acceptors increased in the liquid mixture.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Chemistry, Physical
Konrad Rotnicki, Angelina Sterczynska, Zbigniew Fojud, Monika Jazdzewska, Anatolii Beskrovnyi, Janusz Waliszewski, Francois Beguin, Malgorzata Sliwinska-Bartkowiak
Summary: The melting behavior of ionic liquid 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide (EMIM TFSI) confined in nanoporous carbons was investigated. The melting temperature of EMIM TFSI was found to decrease when confined in carbon nanopores compared to the bulk ionic liquid. The study provides insight into the structural properties and dynamic behavior of EMIM TFSI confined in pores.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Aritri Biswas, Bhabani S. Mallik
Summary: We investigate the interaction and dynamics of ion-probe within a molecular liquid and interpret the vibrational spectral dynamics of mixtures of ionic liquid with probes of varying alkyl chain length. Structural analysis shows pronounced interactions of the oxygen atom with the corresponding anionic oxygen site. Our computed frequency distribution exhibits similarity with the experimental linear FT-IR spectrum. The rotational anisotropy results reflect the hydrogen bond length-scale fluctuations and collective reorientation associated with the complete structural reorganization of the probe modes.
Article
Thermodynamics
Daniel Benestante Hauk, Ricardo Belchior Torres, Jose Vicente Hallak Dangelo
Summary: Experimental data for density-pressure-temperature measurements of binary mixtures of [EMIM][NTf2] + methanol, ethanol, and 1-propanol were obtained using a vibrating tube densimeter. The density results were correlated using the Tait-Tammann equation and the effects of alkyl chain length, temperature, and pressure on density and volumetric properties were analyzed. The excess molar volume behavior of the studied systems was also correlated using the Extended Real Associated Solution Model (ERAS Model).
JOURNAL OF CHEMICAL THERMODYNAMICS
(2023)
Article
Materials Science, Multidisciplinary
J. Beena, A. S. Jebamalar, S. Sindhusha, T. Kamalesh
Summary: The tetra-aqua-bis (p-toluene sulphonate)-calcium (PTC) single crystals were prepared using the slow evaporation technique and the triclinic system with centrosymmetric space group (P1) was confirmed by single-crystal X-ray diffraction analysis. The overall structure of PTC was found to be a hydrogen bonded network. Various analyses were performed to study the properties of PTC, including FTIR vibrational analysis, optical activity measurement, thermal analysis, mechanical analysis, and Z Scan analysis. The results showed that PTC exhibited high optical activity, thermal stability, and mechanical stability, making it suitable for device fabrications.
Article
Chemistry, Multidisciplinary
Hannah B. Wineinger, Volodymyr Smetana, Amrita Nayak, Fengrui Qu, Anja-Verena Mudring, Robin D. Rogers
Summary: By using tricyanomethanide-based ionic liquids as solvents and ligand sources, a method to synthesize 1D and 2D lanthanide/tricyanomethanide coordination polymers has been discovered, providing a new route for the study of f-element-[TCM](-) complexes.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Multidisciplinary Sciences
Stefanie Siebeneichler, Alexander Ovchinnikov, Brianna Bosch-Santos, Gabriel A. Cabrera-Pasca, Roxana Flacau, Qingzhen Huang, Artur W. Carbonari, Dominic Ryan, Anja-Verena Mudring
Summary: The structural and magnetic properties of LaMn2(Ge1-xSix)(2) solid solution were investigated, revealing that substitution of Ge by Si affects the unit cell compression and magnetic exchange interactions, resulting in different magnetic structures.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Physical
Stefanie Siebeneichler, Katharina Dorn, Alexander Ovchinnikov, Wassilios Papawassiliou, Ivan da Silva, Volodymyr Smetana, Andrew J. Pell, Anja-Verena Mudring
Summary: A new family of oxofluorophoshates has been synthesized via ionothermal methods, and they exhibit different crystal structures and magnetic properties.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Olivier Renier, Guillaume Bousrez, Volodymyr Smetana, Anja-Verena Mudring, Robin D. Rogers
Summary: Through the investigation of various ionic liquids (ILs) containing multiple types of soft donor atoms, this study reveals the important role of hydrogen bonding in IL behavior. The presence of an extensive hydrogen bonding network influences the thermal behavior of ILs, with stronger bonding leading to higher melting points and lower decomposition points.
Article
Chemistry, Inorganic & Nuclear
Simeïon Ponou, Sven Lidin, Anja-Verena Mudring
Summary: The new phase Mg7Pt4Ge4 (Mg81Pt4Ge4; = vacancy) was prepared by reacting a mixture of the corresponding elements at high temperatures. According to single crystal X-ray diffraction data, it adopts a defect variant of the lighter analogue Mg2PtSi (Mg8Pt4Si4), reported in the Li2CuAs structure. Mg7Pt4Ge4 is formed by ordering of the Mg vacancies.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Chris Celania, Volodymyr Smetana, Gerd H. H. Meyer, Anja-Verena Mudring
Summary: A systematic exploration of the Nd-Pt-Sn ternary system revealed a wide range of compounds, with seven out of the eight compounds observed derived from the binary compounds Sn2Nd and Sn5Nd2 by adding Pt. Understanding the structure and bonding of intermetallic phases is important to bridge the knowledge gap compared to molecular compounds. The addition of increasing amounts of platinum to mixtures of tin and neodymium results in eight previously unreported ternary Pt/Sn/Nd compounds.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Hannah Wineinger, Volodymyr Smetana, Ethan Hiti, Glib Baryshnikov, Fengrui Qu, Hans Agren, Anja-Verena Mudring, Robin D. Rogers
Summary: This study investigates the direct synthesis of homoleptic N-donor f-element complexes from hydrated salts using mixtures of acidic and basic azoles. Although the goal was not achieved, interesting structures were obtained through structural analysis.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Vitalii Shtender, Volodymyr Smetana, Jean-Claude Crivello, Lukasz Gondek, Janusz Przewozznik, Anja-Verena Mudring, Martin Sahlberg
Summary: This article reports the synthesis of two new ternary compounds, La15Ni13Bi5 and La9Ni8Sn5, through arc melting and annealing, and investigates their crystal structures and properties using single-crystal X-ray diffraction, first-principles calculations, and magnetic measurements.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Davide Grilli, Volodymyr Smetana, Sheikh J. Ahmed, Vitalii Shtender, Marcella Pani, Pietro Manfrinetti, Anja-Verena Mudring
Summary: A homologous series La n(n+1)+x Ni n(n+5)+y Si(n+1)(n+2)-z has been observed in the La-Ni-Si system, which is a symmetric Ni-rich mirror to the La(n+1)(n+2)Ni n(n-1)+2Si n(n+1). Four homologous silicides have been discovered in the central part of the system at 1000°C, with crystal structures based on AlB2-type building blocks and larger equilateral domains composed of fused La-centered Ni6Si6 hexagonal prisms with an edge size equal to n.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Alessia Provino, Vitalij K. Pecharsky, Cristina Bernini, Volodymyr Smetana, Anja-Verena Mudring, Pietro Manfrinetti
Summary: The GdNi alloy dissolves up to 21 at% Co and undergoes a crystal structure change from orthorhombic CrB-type to tetragonal MoB-type at 23.7 at% Co. The MoB-type structure remains stable between 23.7 and 36.0 at% Co, with a two-phase region gap of approximately 2.5 at% Co. The lattice parameters and magnetic properties of the alloy vary with the Co content.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Inorganic & Nuclear
Volodymyr Babizhetskyy, Oksana Myakush, Bogdan Kotur, Volodymyr Smetana, Chong Zheng, Anja-Verena Mudring
Summary: Zr12Pd40Ga31 was prepared by arc melting and subsequent annealing. It crystallizes in a new hexagonal structure type with a sequence of ...ABCB... along the [001] direction.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Brando Adranno, Veronica Paterlini, Volodymyr Smetana, Guillaume Bousrez, Alexander Ovchinnikov, Anja-Verena Mudring
Summary: Tetrabromidomanganate ([MnBr4](2-)) salts with bulky tetraalkylphosphonium counter cations were investigated as potential emitters for organic lighting devices. These compounds exhibited high photoluminescence quantum yield and thermodynamic stability, making them suitable for use in organic light-emitting devices.
DALTON TRANSACTIONS
(2023)
Article
Materials Science, Multidisciplinary
Brando Adranno, Shi Tang, Veronica Paterlini, Volodymyr Smetana, Olivier Renier, Guillaume Bousrez, Ludvig Edman, Anja-Verena Mudring
Summary: This article investigates the performance of a rare metal-free salt compound as a phosphorescent emitter in organic electronic devices. By careful device design, it demonstrates the achievement of broadband white emission with a high color rendering index of 89.
ADVANCED PHOTONICS RESEARCH
(2023)
Article
Materials Science, Multidisciplinary
Brando Adranno, Olivier Renier, Guillaume Bousrez, Veronica Paterlini, Glib V. Baryshnikov, Volodymyr Smetana, Shi Tang, Hans agren, Andreas Metlen, Ludvig Edman, Mudring Anja-Verena, Robin D. Rogers
Summary: Although tris(8-hydroxyquinolinato) aluminum (Alq(3)) and its derivatives are widely used in organic lighting devices, the use of metal-free 8-hydroxyquinoline is impractical due to rapid proton transfer. In this study, the problem of proton transfer and vibrational quenching was overcome by complexation and organization of 8-hydroxyquinolinium cations into a solid network with appropriate counter-anions. The resulting compounds showed superior photoluminescence and thermal stability compared to Alq(3) and related materials.
ADVANCED PHOTONICS RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Shi Tang, Yongfeng Liu, Henry Opoku, Maerta Gregorsson, Peijuan Zhang, Etienne Auroux, Dongfeng Dang, Anja-Verena Mudring, Thomas Wagberg, Ludvig Edman, Jia Wang
Summary: A mild solvothermal synthesis method for carbon dots from birch leaves is reported, which exhibit high quantum yield in ethanol and emit deep-red, narrowband light in a light-emitting device. This study demonstrates the potential application of birch-leaf-derived carbon dots in sustainable organic electronics.