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李激扬

 副教授,博士
 
吉林大学化学学院
 
无机合成与制备化学国家重点实验室
 
前进大街2699号,长春
 
电话:0431-5168614
 
传真:0431-5168624
  E-Mail: lijiyang@mail.jlu.edu.cn
  研究小组: Molecular Engineering lab

 



学习与工作简历:

1989.9-1993.7 吉林大学包装工程学院, 本科
1993.9-2000.7 吉林大学化学院,硕士和博士
1996.7-2000.8 吉林大学分析测试中心,讲师
2000.9-2004.12 吉林大学化学学院, 讲师
2001.10-2003.1 德国哥廷根大学,洪堡博士后研究
2004.12-现在 吉林大学化学学院,无机合成与制备化学国家重点实验室,副教授

研究方向:

  主要从事无机微孔材料的合成与分子模拟研究,包括:结构、模板效应和性能研究。开拓新型无机微孔晶体材料定向合成的新途径。

  模板效应研究

       影响无机微孔化合物合成的一个关键因素是以有机胺为代表的结构导向剂(也称模板剂)的模板效应问题。 我们主要采用分子动力学模拟的方法,研究层孔或微孔化合物中有机胺模板剂同无机骨架的相互作用,提出主-客体H键作用模型。依据主-客体间的非键相互作用能量,预测有机胺的模板剂能力。

  计算机方法研究微孔磷酸铝结构和性质

1. 微孔磷酸铝高温相转变研究。利用分子动力学方法模拟研究磷酸铝高温下相转变的过程,解释导致相变的原因,理论预测其高温煅烧后能稳定存在的结构及在高温煅烧下可能生成的其它未知结构。

2. 杂原子分子筛结构研究。根据主—客体间的相互作用和电荷匹配原则,用分子模拟研究在特定有机胺存在下,不同种类和不同价态的金属部分或全部取代无机微孔晶体骨架元素时的取代位置及取代量,并预测取代后最合理的骨架结构。

近期发表的主要论文:

  1. Yu Song, Jiyang Li, Jihong Yu, Kaixue Wang and Ruren Xu
    Toward Rational Synthesis of Microporous Aluminophosphate AlPO4-21 by Hydrothermal Combinatorial Approach,
    Topic in Catalysis 35: 3-8 2005

  2. Mei Wang, Jiyang Li, Jihong Yu, Qinhe Pan, Xiaowei Song, Ruren Xu
    Assembly of helical hydrogen bonds in a new layered aluminophosphate [C6N3H17][Al2(HPO4)(PO4)2]

    Inorg. Chem. 44 (13): 4604-4607 2005

  3. Wang M, Li JY, Yu JH, et al.
    A New Open-Framework Structure of Nickel Complex Pillared Aluminophosphate [C6N4H20]2[Ni(Al3P4O16)2],
    Inorg. Chem. Commun., 8 (9): 866-869, 2005.

  4. Xiao LP, Li JY, Shen XJ, et al.,
    Thermal Analyses of Various Alkylamines-Templated Aluminophosphate AlPO4-21,
    Micropo. Mesopo. Mater., 84 (1-3): 21-26, 2005.

  5. Li JY, Yu JH, Xu RR,
    The structure directing and templating effects in the formation of microporous compounds,
    CHINESE JOURNAL OF INORGANIC CHEMISTRY, 20 (1): 1-16 2004

  6. Shi L, Li JY, Yu JH, et al.,
    [C6N2H14]O.5 center dot[MnAl3(PO4)(4)(H2O)(2)]: A manganese(II)-substituted aluminophosphate with AFN topology ,
    INORGANIC CHEMISTRY 43 (8): 2703-2707 2004.

  7. Li JY, Yu JH, Xu RR,
    Computational investigation into the phase transitions from AlPO4-H-3,
    SCIENCE IN CHINA SERIES B-CHEMISTRY, 46 (5): 417-424, 2003

  8. Bai G., Peng Y., Roesky, H. W., Li, J., Schmidt, H.-G., Noltemeyer, M.,
    Aluminum Dihydroxide with Terminal OH Groups: An Unprecedented Congener of Boronic Acid,
    Angew. Chem. Int. Ed. 42 (10): 1132-1135 2003

  9. Jancik, V., Peng, Y., Roesky, H. W., Li, J., Neculai, D., Neculai, A. M., Irmer, R. H.,
    The First Structurally Characterized Aluminum Compound with Two SH Groups: [LAl(SH)2] (L=N(Ar)C(Me)CHC(Me)N(Ar), Ar=2,6-i-Pr2C6H3) and the Catalytic Properties of the Sulfur P(NMe2)3 System,
    J. Am. Chem. Soc. 125, 1452-1453 2003.

  10. Bai GC, Roesky HW, Li JY, Labahn T, Cimpoesu F, Magull J ,
    Synthesis, structural characterization, and theoretical treatment of an unusual organozirconium hydroxide with the [Zr-6(mu(4)-O)(mu-O)(4)(mu-OH)(8)] core,
    ORGANOMETALLICS 22 (15): 3034-3038 2003

  11. Bai GC, Roesky HW, Li JY, Noltemeyer M, Schmidt HG,
    Synthesis, structural characterization, and reaction of the first terminal hydroxide-containing alumoxane with an [{Al(OH)}(2)(mu-O)] core,
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    , 42 (44): 5502-5506 2003

  12. Rong JF, Peng Y, Roesky HW, Li JY, Vidovic D, Magull J,
    The first structurally characterized aluminum squaraine complex: L-2(AlMe2)(4)center dot 2THF•2toluene [L = bis(2,6-diisopropylanilino)squaraine],
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY , (17): 3110-3112 2003.

  13. Li, J., Yu, J., Wang, K., Zhu, G., Xu, R.,
    A Simulation Study on the Topotactic Transformations from Aluminophosphate AlPO4-21 to AlPO4-25,
    Inorg. Chem., 40, 5812-5817 2001.

  14. Yu, J., Li, J., Xu, R.,
    Towards rational design and synthesis of aluminophosphates with 2-D layer and 3-D open-framework structures,
    Microporous and Mesoporous Materials, 48, 47-56 2001.

  15. Yu, J., Li, J., Wang, K., Xu, R., Sugiyama, K., Terasaki, O.,
    Rational Synthesis of Microporous Aluminophosphates with Inorganic Open-framework Analogous to Al4P5O20H•C6H18N2,
    Chem. Mater., 12, 3783-3787 2000.

  16. Li, J., Yu, J., Zhou, B., Xu, Y., Xu. W., Qiu, S., Xu, R.,
    Templating Effects for the Formation of 2-D Layered Aluminophosphates with Al3P4O163- Stoichiometry,
    Chem. Mater., 11, 2600-2606 1999.

  17. Yu, J., Li, J., Sugiyama, K., Togashi, N., Terasaki, O., Hiraga, K., Zhou, B., Qiu, S., Xu, R.,
    Formation of a New 2-D Layered Aluminophosphate [Al3P4O16][C5N2H9]2[NH4],
    Chem. Mater., 11, 1727-1732 1999.

  18. Zhou, B., Li, J., Yu, J., Xu, Y., Xu, W., Qiu, S., Xu R.,
    Systematic Enumeration of 2-D Layered Aluminophosphates with [Al3P4O16]3- Stoichiometry
    Comput. Chem.(C&C), 23, 555-563 1999.

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