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Jiyang LI

 Associate Professor, Ph. D
  State Key Laboratory of Inorganic Synthesis and
  Preparative Chemistry
  Jilin University
  2699 Qianjin Street
  Changchun 130012, P. R. China
  Phone: +86-431-5168
  Fax: +86-431-5168624
  E-Mail: lijiyang@mail.jlu.edu.cn
  My group: Molecular Engineering lab


Education and Professional Positions

1989.9-1993.7 College of Packaging, Jilin University, BS
1993.9-2000.7 Department of Chemistry, Jilin University M.S, Ph. D
1996.7-2000.8 Center of Analysis and Testing, Jilin University, Lectuer
2000.9-2004.12 College of Chemistry, Jilin University, Lectuer
2001.10-2003.1 Institut für Anorganische Chemie, Universität Göttingen, Humboldt Research Fellow
2004.12-present State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Associate Professor

Research Interests

  My main research focuses on the computer modeling and molecular simulation of microporous materials, including structure, templating effect, and property study. Aims to develop new strategies towards the rational synthesis of inorganic microporous materials with specified pore structures.

Main research includes:

Study of the templating effect

  The guest organic templating molecules, or called structure-directing agents (SDAs) play an important role in the formation of microporous materials. Our research focuses on the study of the templating ability of various organic amines for the synthesis of layered and microporous materials by using molecular dynamics simulation approach. The suitable organic templates for the formation of target structure can be predicted in terms of non-bonding interaction energies of host-guest, such as Coulombic, van der Waals, and H-bonding interactions, etc.

Study of the structures and characters of microporous materials

This research theme is focused on the study of the structures and characters of microporous materials by employing computational methods.

(1). The phase transformation of microporous materials. Theoretical predicted the energetically favored structure as well as other hypothetical forms which possible exist at high temperature. We also intend to explain the reason which causes the phase transformation.

(2). The structure of metal substituted zeolites. In terms of the host-guest non-bonding interaction and the charge-density matching principle, we intend to study the structure of metal-substituted zeolites, such as the metal-substituted sites and substituted quantity, as well as the final substituted structure.

Selected Publications

  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,

  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,
    , 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],

  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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