硝基芳烃防脱氯加氢机理

本数据集主要包括硝基芳烃在多相金属纳米催化剂上选择性加氢的非接触仿生机理研究的数据。透射电子显微镜表征主要观察制备的Pt NCs催化剂表面颗粒的形貌以及分散情况。双氰胺在Pt表面吸附实验、配体修饰Pt NCs用于对氯硝基苯加氢测试、硫醇修饰Pt NCs用于对氯硝基苯加氢测试，双氰胺修饰Pt NCs样品在H2氛围的红外测试、双氰胺修饰Pt NCs样品在H2D2氛围的红外差谱分析、CO氛围下的红外差谱分析、硝基苯催化加氢的取代基效应测试、理论计算结构模型原子坐标等数据用于验证加氢机理。同一个数据经过不同人员，多次重复实验，或在不同位置采集多次，以保证测试结果稳定可靠。This dataset primarily contains data from a non-contact biomimetic mechanism study on the selective hydrogenation of nitroarenes over heterogeneous metal nanocatalysts. Transmission electron microscopy (TEM) characterization was mainly used to observe the morphology and dispersion of the particles on the surface of the as-prepared Pt NCs catalysts. Collected data covers experiments on dicyandiamide adsorption on Pt surfaces, hydrogenation tests of p-chloronitrobenzene using ligand-modified Pt NCs, hydrogenation tests of p-chloronitrobenzene using thiol-modified Pt NCs, infrared (IR) tests of dicyandiamide-modified Pt NCs samples in a H₂ atmosphere, infrared difference spectrum analysis of dicyandiamide-modified Pt NCs samples in a H₂-D₂ atmosphere, infrared difference spectrum analysis under a CO atmosphere, substituent effect tests of catalytic hydrogenation of nitrobenzene, atomic coordinates of theoretically calculated structural models, and other related data to validate the hydrogenation mechanism. To ensure the stability and reliability of the test results, the same dataset was obtained through repeated experiments by different researchers or multiple acquisitions at different locations.

搜集汇总

背景与挑战

背景概述

该数据集聚焦于硝基芳烃在多相金属纳米催化剂上选择性加氢的非接触仿生机理研究，旨在通过实验和理论计算验证加氢机理。它包含透射电子显微镜表征、吸附与加氢测试、红外光谱分析等数据，并基于重复实验确保结果稳定可靠。