Structural and electrical conductivity studies of Li x AlZr[PO4]3 (x = 1.8, 2.0, 2.2), solid electrolyte for lithium-rechargeable batteries

In the present study, Li _x AlZr[PO₄]₃ (x = 1.8, 2.0, 2.2) has been prepared by the Pechini-type polymerizable precursor method, and structural and electrical analyses have been performed. Formation of the compound has been confirmed from X-ray diffraction pattern. Vibrational analysis has been performed using Fourier transform infrared spectroscopy. Ion transport mechanism has been analyzed using the AC impedance technique. Electrical characterization reveals that the maximum conductivity (4.4 × 10^?5S cm^?1) has been observed for the sample Li_2.2AlZr[PO₄]₃ at 673K.     

1 Pi<--X1 Sigma+ band systems of jet-cooled ScCo and YCo

Rotationally resolved resonant two-photon ionization (R2PI) spectra of ScCo and YCo are reported. The measured spectra reveal that these molecules possess ground electronic states of (1)Sigma(+) symmetry, as previously found in the isoelectronic Cr(2) and CrMo molecules. The ground state rotational constants for ScCo and YCo are B(0)(")=0.201 31(22) cm(-1) and B(0) (")=0.120 96(10) cm(-1), corresponding to ground state bond lengths of r(0) (")=1.812 1(10) A and r(0) (")=1.983 0(8) A, respectively. A single electronic band system, assigned as a (1)Pi<--X (1)Sigma(+) transition, has been identified in both molecules. In ScCo, the (1)Pi state is characterized by T(0)=15,428.8, omega(e)(')=246.7, and omega(e)(')x(e)(')=0.73 cm(-1). In YCo, the (1)Pi state has T(0)=13 951.3, omega(e)(')=231.3, and omega(e)(')x(e) (')=2.27 cm(-1). For YCo, hot bands originating from levels up to v(")=3 are observed, allowing the ground state vibrational constants omega(e)(")=369.8, omega(e)(")x(e)(")=1.47, and Delta G(12)(")=365.7 cm(-1) to be deduced. The bond energy of ScCo has been measured as 2.45 eV from the onset of predissociation in a congested vibronic spectrum. A comparison of the chemical bonding in these molecules to related molecules is presented.     

Ionic liquid-based sodium ion-conducting composite gel polymer electrolytes: effect of active and passive fillers

Journal of Solid State Electrochemistry - We report the studies on composite gel polymer electrolytes (GPEs) comprising 0.5&nbsp;M solution of sodium trifluoromethane sulfonate (Na-triflate or...     

Theoretical and experimental studies on optically tunable hydrogen bonded liquid crystal complex derived from mesogenic and non-mesogenic aromatic compound

A novel hydrogen bonded liquid crystal (HBLC) complex is synthesized from non-mesogenic benzylmalonic acid (BMA) and mesogenic 4-nonyloxybenzoic acid (9OBA). Structural properties and optimized vibrational frequencies of BMA + 9OBA have been studied by FT-IR spectrum. The weak intermolecular interaction between the molecules is proved by NBO and Mulliken charge distribution analysis. The optical and thermal properties are investigated by POM, DSC, UV-Visible and PL techniques. The present HBLC complex exhibits schlieren textures of nematic, broken focal conic texture of smectic C and multicolored mosaic texture of smectic G phases respectively which is not observed in the pure mesogen (9OBA). The HBLC complex geometry is optimized by DFT method at the level of B3LYP basis set 6311G (d, p). The electronic properties of HBLC complex such as, NBO, HOMO-LUMO, ESP and Mulliken charge distribution are also studied. A noteworthy observation is brought out by identifying the presence of photoluminescence in nematic phase due to the variation in intermolecular interaction of the mesophase. The utility of the same complex is discussed. The phase width, thermal stability factor, tilt angle, phase transition temperature and its enthalpy values are reported.     

Interpretable Multi-Head Self-Attention Architecture for Sarcasm Detection in Social Media

With the online presence of more than half the world population, social media plays a very important role in the lives of individuals as well as businesses alike. Social media enables businesses to advertise their products, build brand value, and reach out to their customers. To leverage these social media platforms, it is important for businesses to process customer feedback in the form of posts and tweets. Sentiment analysis is the process of identifying the emotion, either positive, negative or neutral, associated with these social media texts. The presence of sarcasm in texts is the main hindrance in the performance of sentiment analysis. Sarcasm is a linguistic expression often used to communicate the opposite of what is said, usually something that is very unpleasant, with an intention to insult or ridicule. Inherent ambiguity in sarcastic expressions make sarcasm detection very difficult. In this work, we focus on detecting sarcasm in textual conversations from various social networking platforms and online media. To this end, we develop an interpretable deep learning model using multi-head self-attention and gated recurrent units. The multi-head self-attention module aids in identifying crucial sarcastic cue-words from the input, and the recurrent units learn long-range dependencies between these cue-words to better classify the input text. We show the effectiveness of our approach by achieving state-of-the-art results on multiple datasets from social networking platforms and online media. Models trained using our proposed approach are easily interpretable and enable identifying sarcastic cues in the input text which contribute to the final classification score. We visualize the learned attention weights on a few sample input texts to showcase the effectiveness and interpretability of our model.     

Synthesis and Biological Evaluation of Novel 1,2,3-Triazole Based Pyrido[4,3-d]pyrimidines as Potent Anticancer and EGFR Inhibitors

Russian Journal of General Chemistry - This study is devoted to the efficient and practical synthesis of a novel series of pyrido[4,3-d]pyrimidine derivatives attached to 1,2,3-triazole ring and...     

Realizing an Aza Paternò–Büchi Reaction

Intramolecular atropselective aza Paternò–Büchi reaction involving atropisomeric enamide and imine functionalities under sensitized irradiation leads to azetidine products in good yield and selectivity (ee >96 %). A mechanistic model based on detailed photophysical and isomerization kinetic studies is provided that shed light into the reactivity of enamides leading to aza Paternò–Büchi reaction.     

An efficient RuCl3·H2O/I2 catalytic system: A facile access to 3-aroylimidazo[1,2-a]pyridines from 2-aminopyridines and chalcones

A simple and efficient protocol has been demonstrated for the preparation of densely functionalized 3-aroylimidazo[1,2-a]pyridines from 2-aminopyridines and chalcones using RuCl₃·H₂O/I₂ catalytic system. The advantages, such as low catalyst loading, broad substrate scope with respect to substitutions on aminopyridines as well as chalcones, stability of heterocycles such as thiophene under the reaction conditions, operationally simple procedure and higher yields makes this approach remarkable for synthetic applications.     

Influence of pH and Salt on the Photocrosslinking in Polyelectrolyte Thymine‐Containing Films

Photocrosslinking of thymine‐based water‐soluble polymer films was investigated at varying preparation conditions. Adding salt or decreasing the pH of the solution from which the films were cast resulted in the decreased efficiency of photoimmobilization, while increasing the pH was found to increase the photoimmobilization efficiency. A mechanistic rationale for the observed effects is proposed.