廖奕

姓 名：廖奕

職 稱：教授

專 業：物理化學

【個人情況綜述】:

廖奕，博士。首都師範大學化學系教授，碩士生導師。多年來一直從事本科生及研究生教學工作。主要講授《結構化學》、《理論化學》、《計算化學》及《材料化學》等多門課程。指導本科生畢業論文多名，指導碩士研究生6人博士生2人。目前主要研究領域為功能有機金屬配合物/聚合物光電性能的理論研究、分子設計及動力學模擬。已發表研究論文30餘篇，多次參加國家973項目、國家自然科學基金項目和省科委項目，主持國家自然科學基金項目以及東北師範大學青年科學基金項目三項。

1990. 9 – 1994. 7東北師範大學化學學院，獲學士學位

2000. 9 – 2003. 7東北師大化學學院物理化學專業，獲理學碩士學位

2003. 9 – 2006. 7吉林大學化學學院物理化學專業，獲理學博士學位

1994. 9 – 1999. 7 大慶職工大學化工系助教

2000. 9 – 2003.12東北師範大學化學學院講師

2003. 12 – 2009.5東北師範大學化學學院副教授

2006.11-2008.11南京大學化學學院博士后

2007.12-2009.5東北師範大學化學學院博士生導師

2009.5-至今首都師範大學化學系副教授 教授

【教學工作】:

自參加工作以來，一直工作在教學科研第一線。曾先後承擔多屆次的《普通化學》、《消防化學》、《材料化學》等本科基礎課和選修課的教學以及《計算化學》、《理論化學》、《量子化學計算》、《結構化學》等研究生和函授生的教學工作，並承擔試驗教學工作，超額地完成了教學任務。指導多屆次本科生教育實習和畢業論文。指導本科生畢業論文若干人次，指導碩士畢業生6人，博士生2人。

【主要科研方向】:

主要從事應用量子化學和功能材料化學兩個方向的基礎理論研究與實驗研究。

【主要科研項目】:

1. 2008-2010 基於有機電致白光材料的分子設計與發光機理研究。國家自然科學基金[項目負責人]

2. 2006-2007 有機π共軛體系中分子間相互作用的理論研究。校內青年基金[項目負責人]

3. 2004-2005 有機電致發光器件中激基締合物及激基複合物的理論研究。校內青年基金 [項目負責人]

【代表性科研成果（論文、專利）】:

1. Shabbir Muhammad, Hongliang Xu, Yi Liao, Yuhe Kan, and Zhongmin Su, Quantum Mechanical Design and Structure of theLi@B10H14Basket with a Remarkably Enhanced Electro-Optical Response, J. AM. CHEM. SOC. 2009, 131, 11833–11840

2. Ting-Hai Yang, Yi Liao,Li-Min Zheng, Robert E. Dinnebier, Yan-Hui Su, Jing Ma, Tuning the field-induced magnetic transition in a layered cobalt phosphonate by reversible dehydration-hydration process, Chem. Commun., 2009, 3023-3025

3. Yi Liao, J. Ma, Stacking and Solvent effects on the Electronic and Optical Properties of Alkynylgold Triphenylphosphine Aggregation: A Theoretical Study. Organometallics 2008, 27, 4636-4648.

4. S. B. Jiao, Yi Liao, X. J. Xu, L. P. Wang, G. Yu, L. M. Wang, Z. M. Su, Synthesis, Structures, Electronic States, and Luminescent Properties of Novel Blue-light Emitting Aryl-Substituted 9,9-Di(4-(di-p-tolyl) aminophenyl) fluorenes, Adv, Funct. Mater., 2008,2008, 18, 2335-2347

5. L. L. Shi, Yi Liao, G. C. Yang, Z. M. Su, Effect of π-Conjugated Length of Bridging Ligand on the Optoelectronic Properties of Platinum(II) Dimers. Inorg. Chem. 2008, 47, 2347-2355.

6. Xinjun Xu, Yi Liao, Gui Yu, Han You, Chong’an Di, Zhongmin Su, Charge Carrier Transporting, Photoluminescent, and Electroluminescent Properties of Zinc(II)-2-(2-hydroxyphenyl)benzothiazolate Complex. Chem. Mater. 2007, 19, 1740-1748.

7. Yi Liao, J. K. Feng, L. Yang, A. M. Ren, Theoretical study on the optoelectronic properties of electron-withdrawing substituted diethynylfluorenyl Gold(I) complexes J. Phy. Chem. A, 2006, 110, 13036-13044.

8. L. L. Shi, Yi Liao, L. Zhao, Z.M. Su, Y.H. Kan, Theoretical studies on the electronic structure and spectral properties of versatile diarylethene-containing 1,10-phenanthroline ligands and their rhenium(I) complexes, Journal of Organometallic Chemistry 692 (2007) 5368–5374.

9. Yi Liao, J. K. Feng, L. Yang, A. M. Ren, H. X. Zhang, Theoretical Study on the Electronic Structure and Optical Properties of Mercury-containing diethynylfluorene Monomer, Oligomer and Polymer. Organometallics 2005, 24(3), 385-394.

11. Yi Liao, J. K. Feng, L. Yang, A. M. Ren, Effect of Substitution on the Structures and Optoelectronic Properties of Mercury-containing diethynylfluorene Journal of Theoretical and Computational Chemistry.2006, 5, 401-409

12. Yi Liao, Zhong-Min Su, Yu-He Kan, Shu-Mei Yue, Jian-Fang Ma, Ji-Hua Yang, Effect of water on zinc (II), cadmium (II) complexes with pyridylimidazole: Theoretical study of stability and electronic spectrum. International Journal of Quantum Chemistry. 106,490–500(2006)

13. G. C. Yang, Yi. Liao, Z. M. Su, H, Zhang, Y. Wang, Theoretical Study on Photophysical and Charge Transport Properties of 1,6-Bis(2-hydroxyphenol)pyridylboron Bis(4-n-butylphenyl)phenyleneamine Compound.J. Phy. Chem. A 2006, 110, 8758-8762

14. Yi Liao, Zhong-Min Su, Yu-He Kan, Theoretical study on geometrical structure and electronic spectrum properties of two stable conformers of boron hydroxyphenylpyridine excimers, J. Mol. Struc-theochem 2005, 1-3 (24) 123-126.

15. L Yang, Y. Liao, J. K. Feng, A. M. Ren, Theoretical Studies of the Modulation of Polymer Electronic and Optical Properties through the Introduction of the Electron-Donating 3,4-Ethylenedioxythiophene or Electron-Accepting Pyridine and 1,3,4-Oxadiazole Moieties. J. Phy. Chem. A 109, 7764-7774 (2005)

16. Yi Liao, L. L. Shi, J. K. Feng, L. Yang, A. M. Ren, Luminescent Properties of Mercury-containing Diethynylfluorene Derivatives, Chemical Research in Chinese Universities.2007, 23 (1) 1-4.

17. L. Yang, Y. Liao, A. M. Ren, A Theoretical investigation on the electronic and optical properties of π-conjugated Copolymers with an Efficient Electron-accepting Unit bithieno[3,2-b:2’3’-e]pyridine, Polymer, 46, 9955-9964, (2005)

18. Yi Liao, Y. G. Chen, Z. M. Su, Y. H. Kan, H. X. Duan, D. X. Zhu，TD-DFT study on electronic spectrum property for Bepp2 and its related complexes, Synthetic Metals, 137(1-3), 1093-1094, 2003.

19. Yi Liao, Z. M. Su, Y. Q. Qiu, Y. H. Kan, Y. G. Chen, R. S. Wang, Theoretical Studies on Effect of the Interaction Between Metal and Ligands on Frontier Molecular Orbitals and Nonlinear Optical Properties Within BeQ2 and Its Derivatives, Chem. J. Chin. Univ. 2003, 24(7), 1289-1292.

20. Yi Liao, Z. M. Su, Y. G. Chen, Y. H. Kan, H. X. Duan, Y. Q. Qiu, R. S. Wang, TD-DFT Study on Electronic Spectrum Property for Bis(8-hydroxyquinoline) Beryllium and Its Derivatives, Chem. J. Chin. Univ. 2003, 24(3), 477-480.

21. X. Y. Zhang，Yi. Liao, X. L. Wang, Theoretical studies on optoelectronic properties of oligofluorenyl derivatives.東北師範大學學報, 2005, 37, 72-75

22. Y. L. Teng, Y. H. Kan, Z. M. Su, Y. Liao, S. Y. Yang, R. S. Wang, Time-dependent density functional theory study on electronic and spectroscopic properties for Ph2Bq and its complexes, Theor. Chem. Acc., 2007, 117, 1-5.

23. 仇永清，蘇忠民，廖奕，顏力楷，闞玉和，陳亞光，王榮順，XAuPH3 (X=H, F, Cl, Br, I, CN, CH3) 的電子結構和非線性光學性質，科學通報， 47（19），1473-1476, 2002。

24. Y.Q. Qiu, Z.M. Su, Y. Liao, L.K. Yan, Y.H. Kan, Y.G. Chen, R.S. Wang, Electronic Structures and Nonlinear Optical Properties of XAuPH3, Chinese Science Bulletin, 48(2), 140-143, 2003.

25. Z.M. Su, Y.H. Kan, Y. Liao, Y.Q. Qiu, R.S. Wang, Theoretical study on excited state structures and charge transfer characteristics of 2,2'-bipyridine: pyridine-imidazole ligands and their complexes, Synthetic Metals, 137(1-3), 1095-1096, 2003.

26. Y.Q. Qiu, Z.M. Su, Y. Liao, Ab initio research on third-order nonlinear optical properties of linear complexes [M(I)(PH3)2]+(M=Cu, Ag, Au), Synthetic Metals, 137(1-3), 1523-1524, 2003.

27. 廖奕，封繼康，楊麗，中國化學會第九界全國量子化學學術會議，論文集 P.132“配位水在Zn、Cd吡啶基咪唑配合物中的穩定性以其對光譜性質影響的理論研究” 2005. 10，桂林。

28. 廖奕，封繼康，楊麗，中國化學會第25界年會，論文集“鉑(II)芴炔衍生物中M-C鍵本質及其對光電性質的影響” 2006. 7，長春

29. Yi. Liao, Jing Ma, 中國化學會第十界全國量子化學學術會議，論文集 P.537 “Molecular Dynamic Simulations on Amorphous Solid of Oligophenylene” 2008，5，南京。

30. Yi Liao, Y. G. Chen, Z.M.Su, Y.H.Kan, D.X.Zhu, Y.Wang, TD-DFT STUDY ON ELECTRONIC SPECTRUM PROPERTY FOR BEPP2 AND ITS RELATED COMPOUNDS, International Conference on Science and Technology of Synthetic Metals(ICSM’2002),216, Shanghai, China, June 29-July 5, 2002

31. Yi. Liao, Jing Ma, Theory and Applications of Computational Chemistry 2008，“Solvent and Stacking Effects on the Electronic Structures of Alkynylgold Triphenylphosphine Oligomers” Shanghai, China, Sep. 27, 2008.