Pentacene in 1,3,5-Tri(1-naphtyl)benzene: A Novel Standard for Transient EPR Spectroscopy at Room Temperature

Testing and calibrating an experimental setup with standard samples is an essential aspect of scientifc research. Single crystals of pentacene in p-terphenyl are widely used for this purpose in transient electron paramagnetic resonance (EPR) spectros copy. However, this sample is not without downsides: the crystals need to be grown and the EPR transitions only appear at particular orientations of the crystal with respect to the external magnetic feld. An alternative host for pentacene is the glass forming 1,3,5-tri(1-naphtyl)benzene (TNB). Due to the high glass transition point of TNB, an amorphous glass containing randomly oriented pentacene molecules is obtained at room temperature. Here we demonstrate that pentacene dissolved in TNB gives a typical “powder-like” transient EPR spectrum of the triplet state fol lowing pulsed laser excitation. From the two-dimensional data set, it is straight forward to obtain the zero-feld splitting parameters and relative populations by spectral simulation as well as the B1 feld in the microwave resonator. Due to the simplicity of preparation, handling and stability, this system is ideal for adjusting the laser beam with respect to the microwave resonator and for introducing students to transient EPR spectroscopy

A Novel Modelling Process in Chemistry: Merging Biological and Mathematical Perspectives to Develop Modelling Competences

Models are essential in science and therefore in scientific literacy. Therefore, pupils need to attain competency in the appropriate use of models. This so-called model–methodical competence distinguishes between model competence (the conceptual part) and modelling competence (the procedural part), wherefrom a definition follows a general overview of the concept of models in this article. Based on this, modelling processes enable the promotion of the modelling competence. In this context, two established approaches mainly applied in other disciplines (biology and mathematics) and a survey among chemistry teachers and employees of chemistry education departments (N = 98) form the starting point for developing a chemistry modelling process. The article concludes with a description of the developed modelling process, which by its design, provides an opportunity to develop students’ modelling competence

Efficient Lignin Fractionation from Scots Pine (Pinus sylvestris) Using Ammonium-Based Protic Ionic Liquid : Process Optimization and Characterization of Recovered Lignin

Lignin-based chemicals and biomaterials will be feasible alternatives to their fossil-fuelbased counterparts once their breakdown into constituents is economically viable. The existing commercial market for lignin remains limited due to its complex heterogenous structure and lack of extraction/depolymerization techniques. Hence, in the present study, a novel low-cost ammoniumbased protic ionic liquid (PIL), 2-hydroxyethyl ammonium lactate [N11H(2OH)][LAC], is used for the selective fractionation and improved extraction of lignin from Scots pine (Pinus sylvestris) softwood biomass (PWB). The optimization of three process parameters, viz., the incubation time, temperature, and biomass:PIL (BM:PIL) ratio, was performed to determine the best pretreatment conditions for lignin extraction. Under the optimal pretreatment conditions (180 ◦C, 3 h, and 1:3 BM:PIL ratio), [N11H(2OH)][LAC] yielded 61% delignification with a lignin recovery of 56%; the cellulose content of the recovered pulp was approximately 45%. Further, the biochemical composition of the recovered lignin and pulp was determined and the recovered lignin was characterized using 1H–13C heteronuclear single quantum coherence (HSQC) nuclear magnetic resonance (NMR) spectroscopy, quantitative 31P NMR, gel permeation chromatography (GPC), attenuated total reflectance (ATF)–Fourier transform infrared spectroscopy (ATR-FTIR), and thermal gravimetric analysis (TGA) analysis. Our results reveal that [N11H(2OH)][LAC] is significantly involved in the cleavage of predominant β–O–4’ linkages for the generation of aromatic monomers followed by the in situ depolymerization of PWB lignin. The simultaneous extraction and depolymerization of PWB lignin favors the utilization of recalcitrant pine biomass as feedstock for biorefinery schemes

Novel Phosphonium-Based Ionic Liquid Electrolytes for Battery Applications

In this study, we address the fundamental question of the physicochemical and electrochemical properties of phosphonium-based ionic liquids containing the counter-ions bis(trifluoromethanesul fonyl)imide ([TFSI]) and bis(fluorosulfonyl)imide ([FSI]). To clarify these structure–property as well as structure–activity relationships, trimethyl-based alkyl- and ether-containing phosphonium ILs were systematically synthesized, and their properties, namely density, flow characteristics, alkali metal compatibility, oxidative stability, aluminum corrosivity as well as their use in Li-ion cells were examined comprehensively. The variable moiety on the phosphonium cation exhibited a chain length of four and five, respectively. The properties were discussed as a function of the side chain, counter-ion and salt addition ([Li][TFSI] or [Li][FSI]). High stability coupled with good flow characteristics were found for the phosphonium IL [P1114][TFSI] and the mixture [P1114][TFSI] + [Li][TFSI], respectively

Novel Phosphonium-Based Ionic Liquid Electrolytes for Battery Applications

In this study, we address the fundamental question of the physicochemical and electrochemical properties of phosphonium-based ionic liquids containing the counter-ions bis(trifluoromethanesul fonyl)imide ([TFSI]−) and bis(fluorosulfonyl)imide ([FSI]−). To clarify these structure–property as well as structure–activity relationships, trimethyl-based alkyl- and ether-containing phosphonium ILs were systematically synthesized, and their properties, namely density, flow characteristics, alkali metal compatibility, oxidative stability, aluminum corrosivity as well as their use in Li-ion cells were examined comprehensively. The variable moiety on the phosphonium cation exhibited a chain length of four and five, respectively. The properties were discussed as a function of the side chain, counter-ion and salt addition ([Li][TFSI] or [Li][FSI]). High stability coupled with good flow characteristics were found for the phosphonium IL [P1114][TFSI] and the mixture [P1114][TFSI] + [Li][TFSI], respectively

Structure-Property Relation of Trimethyl Ammonium Ionic Liquids for Battery Applications

Ionic liquids are attractive and safe electrolytes for diverse electrochemical applications such as advanced rechargeable batteries with high energy densities. Their properties that are beneficial for energy storage and conversion include negligible vapor-pressure, intrinsic conductivity as well as high stability. To explore the suitability of a series of ionic liquids with small ammonium cations for potential battery applications, we investigated their thermal and transport properties. We studied the influence of the symmetrical imide-type anions bis(trifluoromethanesulfonyl)imide ([TFSI]−) and bis(fluorosulfonyl)imide ([FSI]−), side chain length and functionalization, as well as lithium salt content on the properties of the electrolytes. Many of the samples are liquid at ambient temperature, but their solidification temperatures show disparate behavior. The transport properties showed clear trends: the dynamics are accelerated for samples with the [FSI]− anion, shorter side chains, ether functionalization and lower amounts of lithium salts. Detailed insight was obtained from the diffusion coefficients of the different ions in the electrolytes, which revealed the formation of aggregates of lithium cations coordinated by anions. The ionic liquid electrolytes exhibit sufficient stability in NMC/Li half-cells at elevated temperatures with small current rates without the need of additional liquid electrolytes, although Li-plating was observed. Electrolytes containing [TFSI]− anions showed superior stability compared to those with [FSI]− anions in battery tests

Maser threshold characterization by resonator Q-factor tuning

Whereas the laser is nowadays an ubiquitous technology, applications for its microwave analog, the maser, remain highly specialized, despite the excellent low-noise microwave amplification properties. The widespread application of masers is typically limited by the need of cryogenic temperatures. The recent realization of a continuous-wave room-temperature maser, using NV− centers in diamond, is a first step towards establishing the maser as a potential platform for microwave research and development, yet its design is far from optimal. Here, we design and construct an optimized setup able to characterize the operating space of a maser using NV− centers. We focus on the interplay of two key parameters for emission of microwave photons: the quality factor of the microwave resonator and the degree of spin level-inversion. We characterize the performance of the maser as a function of these two parameters, identifying the parameter space of operation and highlighting the requirements for maximal continuous microwave emission

Evidence of AlII Radical Addition to Benzene

Electrophilic AlIII species have long dominated the aluminum reactivity towards arenes. Recently, nucleophilic low-valent AlI aluminyl anions have showcased oxidative additions towards arenes C C and/or C H bonds. Herein, we communicate compelling evidence of an AlII radical addition reaction to the benzene ring. The electron reduction of a ligand stabilized precursor with KC8 in benzene furnishes a double addition to the benzene ring instead of a C H bond activation, producing the corresponding cyclohexa-1,3 (orl,4)-dienes as Birch-type reduction product. X-ray crystallographic analysis, EPR spectroscopy, and DFT results suggest this reactivity proceeds through a stable AlII radical intermediate, whose stability is a consequence of a rigid scaffold in combination with strong steric protection

Установка для исследования параметров трубки Фильда

В данной работе была спроектирована и построена установка для исследования параметров трубки Фильда. Исследованы коэффициенты теплоотдачи и выведены коэффициенты эмпирического уравнения Нуссельта для частного случая.In this work, a device was designed and built for the study of the parameters of the Fild tube. The coefficients of heat transfer are studied and the coefficients of the empirical Nusselt equation for a particular case are derived

Black Titania and Niobia within Ten Minutes : Mechanochemical Reduction of Metal Oxides with Alkali Metal Hydrides

Partially or fully reduced transition metal oxides show extraordinary electronic and catalytic properties but are usually prepared by high temperature reduction reactions. This study reports the systematic investigation of the fast mechanochemical reduction of rutile-type TiO2 and H-Nb2O5 to their partially reduced black counterparts applying NaH and LiH as reducing agents. Milling time and oxide to reducing agent ratio show a large influence on the final amount of reduced metal ions in the materials. For both oxides LiH shows a higher reducing potential than NaH. An intercalation of Li+ into the structure of the oxides was proven by PXRD and subsequent Rietveld refinements as well as 6 Li solid-state NMR spectroscopy. The products showed a decreased band gap and the presence of unpaired electrons as observed by EPR spectroscopy, proving the successful reduction of Ti4+ and Nb5+. Furthermore, the developed material exhibits a significantly enhanced photocatalytic performance towards the degradation of methylene blue compared to the pristine oxides. The presented method is a general, time efficient and simple method to obtain reduced transition metal oxides