Conjugation effects and optical spectra of 1,2-diphosphole cycloadducts

Russian Chemical Bulletin - Quantum chemical calculations and a comparative analysis of Raman spectra of 3,4,5-triphenyl-1-propyl-1,2-diphosphole (1),...     

Two fluoro compounds of main group elements: Synthesis,characterization, theoretical and spectroscopic study

Two new compounds of fluorine: (C₂H₅)₄N[I₂F] and (C₂H₅)₄N[Br₂F], have been easily synthesized in a nearly quantitative by a direct reaction of (C₂H₅)₄NF, I₂ and Br₂. The products were isolated and characterized by elemental analysis and spectroscopic methods such as: Fourier transform infrared spectroscopy (FTIR) and ultraviolet-visible spectroscopy (UV-Vis). These compounds have been studied computationally with the Scalar ZORA relativistic level of theory using the ADF program package. The molecular parameters, and vibrational spectra were calculated. The excitation energies were found by timedependent perturbation density functional theory (TD-DFT). Molecule optimization, frequencies and excitation energies were calculated with standard Slatertype-orbital (STO) basis sets with triple-zeta quality double plus polarization functions (TZ2P) for all atoms. The FTIR, UV-Vis spectra and assignment of principal transitions and total density of state (TDOS) were extracted using the GaussSum 2.2 program. The comparison between experimental and calculated values showes that the experimental results correlate well with the predicted data.     

Plasmon Coupling-Induced Hot Electrons for Photocatalytic Hydrogen Generation

We present the fabrication of core-shell-satellite Au@SiO₂-Pt nanostructures and demonstrate that LSPR excitation of the core Au nanoparticle can induce plasmon coupling effect to initiate photocatalytic hydrogen generation from decomposition of formic acid. Further studies suggest that the plasmon coupling effect induces a strong local electric field between the Au core and Pt nanoparticles on the SiO₂ shell, which enables creation of hot electrons on the non-plasmonic-active Pt nanoparticles to participate hydrogen evolution reaction on the Pt surface. In addition, small SiO₂ shell thickness is required in order to obtain a strong plamon coupling effect and achieve efficient photocatalytic activities for hydrogen generation.     

Condensation of Diamantan-3-one with Malononitrile and Methyl and Ethyl Cyanoacetates in the Presence of Binder-Free FeHY and NiHy Zeolites

Russian Journal of Organic Chemistry - Binder-free iron- and nickel-containing micro-, meso-, and macroporous zeolites FeHY and NiHY were found to effectively catalyze Knoevenagel condensation of...     

Synthesis and characterization of three co-crystals of bis(benzimidazole) derivatives with aromatic dicarboxylic acids

Research on Chemical Intermediates - Combination of three aromatic carboxylic acids (5-nitroisophthalic acid (H2nip), 2,6-naphthalenedicarboxylic acid (H2ndc), tetrabromoterephthalic acid (H2tbta))...     

Erratum to: Modification of Multiliposomal Nanocontainers with Albumin as a Method for Increasing Their Resistance to Enzymatic Hydrolysis

Colloid Journal - An Erratum to this paper has been published: https://doi.org/10.1134/S1061933X21330024     

The competitive behavior for O2 and CO2 reaction during char oxy-fuel combustion: effects of temperature and inherent minerals

Journal of Thermal Analysis and Calorimetry - Coal O2/CO2 combustion is a promising carbon capture and storage technology for coal-fired power plant. Char consumption rate prediction is essential...     

Molecular design of ambipolar redox-active molecules II: closed-shell systems

This mini-review highlights key structural features that should be taken into account when creating ambipolar redox-active closed-shell metal-free molecules. This type of compound is strongly required for the fabrication of all-organic ‘poleless’ batteries and semiconductors. The suggested strategies aimed at stabilization of both oxidized (cationic) and reduced (anionic) redox-states are based on the comprehensive analysis of the most successful structures taken from the recent publications.