徐光宪 - 北京大学 - 化学与分子工程学院

研究领域

Research Interests: Prof. Xu is a supervisor of Ph. D. program in both physical chemistry and inorganic chemistry. His research interests are: 1. Electronic structure and chemical bonding of rare earth complexes and clusters. New concept of covalence and its quantum chemical definition. According to this definition the covalence of Be is 6 instead of 2. This result was theoretically calculated and experimentally verified in various structural types of Be compounds, e.g. BeCl2 monomer, dimer, tetramer and chain polymer, HBeCp, BeCp2, BeAc2, the tetrahedral Be4Ac6, the cubic [NaEt2BeBeOBut]2, etc.. The covalences of Ni in Ni(CO)4, Cr in Cr(C6H6)2, Mn in HMn(CO)5 are 8, 12 and 11, respectively. 2. Chemistry of molecular fragments, valence of fragments, fragment reagents. Design and synthesis of molecules of new structural type or having special properties. 3. Coordination and extraction chemistry of rare earth compounds.

近期论文

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Xu Guangxian, Editor-in Chief, "Rare Earths", a three-volume comprehensive monograph of the science and technology of rare earths(in Chinese), Metallurgical Industry Press, 1995, Beijing. Xu Guangxian, Li Lemin, Wang Demin and Chen Mingbo, "Quantum Chemistry-Fundamental Principles and Ab Initio Methods", (in Chinese), Science Press, 1980, 1985, 1989, Beijing. Xu Guangxian, J. of Molecular Science, 1(1), 1-14(1983). "Structural Rules of Cluster Compounds and Related Molecules II. New Definition of Covalence". Xu Guangxian and Zhan Changguo, J. of Molecular Structure(Theochem), 279, 53-57(1993)."Quantum Chemical Definition and Calculation of Valence" Guang-Xian Xu and Jinqing Ren, Lanthanide and Actinide Research, 2, 67-78(1987). "INDO Studies on the Electronic Structure and Chemical bonding of a Rare Earth Cluster Compound, Gd10C4Cl18". Guang-Xian Xu, Jinqing Ren, Chunhui Huang and Jinguang Wu, Pure & Appl. Chem., 60(8), 1145-1152(1988). "Coordination Chemistry of Rare Earths: Synthesis, Structure, Spectroscopy and Chemical Bonding". Xu Guangxian, Gao Song, Huang Chunhui, Wu Jinguang and Li Lemin, Progress in Natural Science, 2(5), 385-400 (1992). "Molecular Design, Synthesis, Structure and Bonding of Polynuclear Rare Earth Complexes and Clusters". Xu Guangxian, Huang Chunhui, Li Biaoguo, Gao Song and Yan Chunhua, ISEC'93, Solvent Extraction in the Process Industry, 1, 235-241 (1993).