Effect of reagent vibrational excitation and isotope substitution on the stereo-dynamics of the Ba+HF→BaF+H reaction

Based on an extended London-Eyring-Polanyi-Sato (LEPS) potential energy surface (PES), the Ba + HF reaction has been studied by the quasi-classical trajectory (QCT) method. The reaction integral cross section as a function of collision energy for the Ba + HF → BaF + H reaction is presented and the influence of isotope substitution on the differential cross sections (DCSs) and alignments of the product's rotational angular momentum have also been studied. The results suggest that the integral cross sections increase with increasing collision energy, and the vibrational excitation of the reagent has great influence on the DCS. In addition, the product's rotational polarization is very strong as a result of heavy-heavy-light (HHL) mass combination, and the distinct effect of isotope substitution on the stereodynamics is also revealed.     

Application of PWM dimming based on Grassmann optical model北大核心CSCD

针对发光二极管（light-emitting diode,LED）光源颜色和光通量精准调控难度高,在生产应用中,调控操作需在电脑等设备上进行的问题,基于格拉斯曼颜色混合定律,结合脉宽调制(pulse width modulation,PWM)调控LED的特性,建立表示PWM与LED照度关系的数学模型,以STM 32微控制器为核心设计了三基色LED调光调色系统。对系统分别进行单色、双色和3色的混光照度实验,数字照度计的测量值与光照数学模型的理论值对比结果表明,该系统在0~370 lx区间内系统的光源照度误差≤4%,合成光色共16 777 216种,且对光源颜色和光通量的调控操作可直接在系统上完成,无需接入其他设备,减少了操作流程,满足工业视觉检测、农作物补光照明和文化旅游对光源颜色和照度的需求。     

DFT studies on the origin of regioselective ring-opening of terminal epoxides during copolymerization with CO<Subscript>2</Subscript>

This report presents a detailed density functional theory（DFT） study on the difference in regioselectivity for the copolymerization reactions of styrene oxide versus propylene oxide with CO₂ utilizing binary（salen）cobalt（Ⅲ） catalyst systems. This study focuses on the discrepancy of regioselective ring-opening of two terminal epoxides during the copolymerization with CO₂. It was found that the nucleophilic ring-opening of styrene oxide occurred predominantly at the methine C_a―O bond due to the election delocalization of phenyl group to stabilize the transition state for the methine C―O bond cleavage.