Collision-energy dependence of HD(nu'=1,j') product rotational distributions for the H + D2 reaction

Product rotational distributions for the reaction H + D2 --> HD(nu'=1,j') + D have been measured for 16 collision energies in the range of 1.43 < or = E(coll) < or = 2.55 eV. Time-dependent quantum-mechanical calculations agree well in general with the experimental results, but they consistently yield slightly colder distributions. In terms of the average energy channeled into rotation, the differences between experiment and theory amount to approximately 10% for all collision energies sampled. No peculiarity is found for E(coll)=2.55 eV at which the system has sufficient energy to access the first HD2 electronically excited state.     

Study on a novel thermoset nanocomposite form DGEBA–cycloaliphatic diamine and metal nanoparticles

The thermo-physical properties of diglycidyl ether of bisphenol A (DGEBA)/isophoronediamine (IPDA) with iron nanoparticles were investigated using DSC, DMT, and TG analysis. Because of the higher values of the glass transition, it is recognized that the optimum behavior of the three-component system corresponds to the 10% loading level of iron nanoparticles. The addition of iron nanoparticles into the epoxy matrix resulted in a significant increment in the storage modulus and crosslink density. Also, the DGEBA/IPDA/10% iron nanoparticles showed an enhanced thermal stability owing to the introduction of iron nanoparticles as reinforcing filler. Curing reaction of DGEBA/IPDA with 10% iron nanoparticles was investigated by DSC at dynamic mode. Activation energy was calculated based on Kissinger method (66.52 kJ mol^?1). Also, the advanced isoconversional method is utilized to describe the curing reaction process. In the dynamic DSC analyses, the curing kinetics could be successfully described with the two-parameter autocatalytic model (Sěsták–Berggren equation) and the overall reaction order was about 2.78.     

Synthesis,experimental, and DFT studies on FT-IR, 1H,and 13C NMR spectra of azo-linked dihydropyridines

An efficient one-pot synthesis of dihydropyridines by solid state three-component condensation reactions of aldehydes, dimedone, and ammonium acetate in the presence of HY-Zeolite has been achieved. The conversion took short time to form the products in excellent yields. HY-Zeolite can be recovered and reused. Density Functional Theory (DFT) calculations at the B3LYP level is used to optimize the geometry and calculate FT-IR, ¹H, and ¹³C NMR spectra of the compounds. We found that the calculated values are in accordance with the experimental data.     

Metal Hydrogen Sulfates Catalyzed Methoxymethylation of Alcohols under Solvent‐Free Conditions

Methoxymethylation of a variety of alcohols was performed by using formaldehyde dimethoxy acetal in the presence of metal hydrogen sulfate M(HSO₄)_n at room temperature and solvent‐free conditions. The methoxymethyl ethers (MOM‐ethers) were obtained with high yields and purity.     

Selective Synthesis in Microdroplets of 2-Phenyl-2,3-dihydrophthalazine-1,4-dione from Phenyl Hydrazine with Phthalic Anhydride or Phthalic Acid

Pyridazine derivatives are privileged structures because of their potential biological and optical properties. Traditional synthetic methods usually require acid or base as a catalyst under reflux conditions with reaction times ranging from hours to a few days or require microwave assistance to induce the reaction. Herein, this work presents the accelerated synthesis of a pyridazine derivative, 2-phenyl-2,3-dihydrophthalazine-1,4-dione (PDHP), in electrosprayed microdroplets containing an equimolar mixture of phenyl hydrazine and phthalic anhydride or phthalic acid. This reaction occurred on the submillisecond timescale with good yield (over 90 % with the choice of solvent) without using an external catalyst at room temperature. In sharp contrast to the bulk reaction of obtaining a mixture of two products, the reaction in confined microdroplets yields only the important six-membered heterocyclic product PDHP. Results indicated that surface reactions in microdroplets with low pH values cause selectivity, acceleration, and high yields.