Understanding and Exploring The Catalysis at the Molcular Level WU Yue, YANG Xiangguang （Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 120022 Changchun) Abstract Based upon the achievements of modern kinetics, spectroscopy as well as surface science studies, understanding and exploring the catalysis have been going at the molecular level. According to the classification of catalysts: metal complex; metal and metal oxide, a series of particular examples whose mechanisms have been elaborated on a molecular scale are collected. These are: homogeneons cooxidation by metal complexes, polymerization of olefins, activation of H2 in hydrogenation, hydroformylation by anchored metal complexes, oxidation by metal particles with controllable size and surroundings, oxidation by oxides, dehydration by zeolites, catalysis with heteropolyacids and biomimetic catalysis. Key words Catalysis, Metal complex, Metal, Metal oxide, Biornimitic catalysis 从分子水平理解和研究催化 吴 越 杨向光 (中国科学院长春应用化学研究所 长春 130022) 摘要 在现代动力学、谱学和表面科学成就的基础上，对催化的理解和探索已进入分子水平。按照催化剂分类，金属配合物，金属和氧化物，汇集了一些有代表性的已在分子尺度上阐明其机理的例子，如：为金属配合物催化的均相共氧化、烯烃聚合、加氢反应中氢的活化、由锚定配合物催化的氢甲酰化、金属微粒和环境可控的氧化、氧化物的催化氢化、分子筛的脱水、杂多酸催化和仿生催化等。 关键词 催化 配合物催化剂 金属催化剂 氧化物催化剂 仿生催化剂 吴越 研究员，博士生导师。 2001-01-23收稿，2001-03-15修回。 PDF全文下载(c01116)