趙存元，男，1962年9月出生，甘肅正寧人，博士，中山大學化學學院教授、博士生導師。主要從事催化反應機理及團簇材料分子設計方面的理論研究，在《J. Am. Chem. Soc.》、《 J. Phy. Chem.A》、《 J. Chem. Phys.》、《Organometallics》、《J. Org. Chem.》、《Inorg. Chem.》、《Chem. Eur. J. 》等重要刊物發表論文40多篇。
基本介紹
- 中文名：趙存元
- 出生地：甘肅正寧
- 出生日期：1962年9月
- 畢業院校：南京大學
- 學位/學歷：博士
- 專業方向：理論無機化學
- 任職院校：中山大學
人物經歷,教育經歷,工作簡歷,研究方向,主講課程,學術成果,
人物經歷
教育經歷
1997年11月畢業於南京大學配位化學研究所，理論無機化學專業，獲理學博士學位。
1987年7月畢業於西北師範大學化學化工學院，物理化學專業，獲理學碩士學位。
1984年7月畢業於西北師範大學化學化工學院，獲理學學士學位。
工作簡歷
2004.09 - 至今：中山大學化學與化學工程學院，教授；博士生導師。
2002.02-2004.09：香港大學化學系，博士後。
2000.09-2002.02：美國戴維斯加州大學，博士後。
1999.09-2000.09：香港科技大學化學系，博士後。
1996.12-1999.09：西北師範大學化學化工學院，副教授。
1987.07-1996.12：西北師範大學化學化工學院，助教、講師。
研究方向
1. 金屬類卡賓化合物、金屬氮賓的反應性能、環丙烷化反應及其不對稱催化選擇性機理的理論研究。
2. 金屬團簇及團簇離子的基態和激發態的電子結構、性能及金屬團簇光電磁等物理化學性質的分子設計研究。
3. 鹵代烴在水溶液中的光化學反應機理的理論研究。
4. 有機張力分子的張力評價及化學鍵的理論研究。
主講課程
本科生課程：結構化學， 現代化學實驗與技術。
研究生課程：套用量子化學。
學術成果
1. Z. Guo, Z.F. Ke, D.L. Phillips,C. Y. Zhao, Organometallics, 27, 181 (2008), Intrinsic Reaction Coordinate Analysis of the Activation of CH4 by Molybdenum Atoms: A Density Functional Theory Study of the Crossing Seams of the Potential Energy Surfaces.
2. Z. Guo, C. Y. Zhao, D.L. Phillips, E.G. Robertsonc, D. McNaughtonc, J. Phys. Chem. A, 2008, accepted, An Experimental and Theoretical Study of NSCl Decomposition in the Presence of Trace Amounts of Water.
3. 李志偉，趙存元，陳六平，物理化學學報，24, 755 (2008), As ,[As5M]、[As5MAs5] (M=Ti, Zr, Hf)的結構和芳香性。
4. Z.W. Li, C. Y. Zhao, L.P. Chen, THEOCHEM, 854, 46 (2008), Structure and aromaticity of Bi , Bi5M (M = Li, Na, K) and Bi5M (M = Be, Mg, Ca) clusters.
5. Z. Guo, X.F. Lin, C. Y. Zhao, D.L. Phillips, THEOCHEM, 848, 119 (2008), Density functional theory study of water-assisted deprotonation of the C8 intermediate in the reaction of the 2-fluorenylnitrenium ion with guanosine to form a C8 adduct.
6. Z.F. Ke, Y. B. Zhou, H. Gao, C. Y. Zhao, D.L. Phillips, Chem. Eur. J., 13, 6724 (2007), On the Mechanism and Stereochemistry of Chiral Lithium Carbenoid Promoted Cyclopropanation Reactions.
7. Z.F. Ke, C. Y. Zhao, D.L. Phillips, J. Org. Chem. 72, 848(2007), Methylene Transfer or Carbometalation? A Theoretical Study to Determine the Mechanism of Lithium Carbenoid Promoted Cyclopropanation Reactions in Aggregation and Solvation States.
8. R. Fang, Z.F. Ke; Y. Shen, C. Y. Zhao; D.L. Phillips, J. Org. Chem., 72, 5139 (2007), Concurrent Cyclopropanation by Carbenes and Carbanions? A Density Functional Theory Study on the Reaction Pathways.
9. X.F. Lin, C. Y. Zhao, C.-M. Che, Z.F. Ke, D.L. Phillips, Chem. Asian. J., 2, 1101 (2007), A DFT Study on the Mechanism of Rh2II,II –Catalyzed Intramolecular Amidation of carbamates (封面論文) .
10.Z.H. Li, Z.F. Ke, C. Y. Zhao, Z.Y. Geng, Y.C. Wang, D.L. Phillips, Organometallics, 25, 37
35 (2006), A Density Functional Theory Study of Aluminum Carbenoid (CH3)2AlCH2X (X = Cl, Br, I) Promoted Cyclopropanation Reactions Compared to IMCH2I (M = Li, Sm, Zn) Carbenoids.
35 (2006), A Density Functional Theory Study of Aluminum Carbenoid (CH3)2AlCH2X (X = Cl, Br, I) Promoted Cyclopropanation Reactions Compared to IMCH2I (M = Li, Sm, Zn) Carbenoids.
11.Z.W. Li, C. Y. Zhao, L.P. Chen, THEOCHEM, 807, 17 (2007), Structure and arom aticity of Sb5− and Sb5M (M=Li, Na, and K) clusters.
12.Z.W. Li, C. Y. Zhao, L.P. Chen, THEOCHEM, 809, 45 (2007), Spectroscopic properties of aromatic heterocyclic systems: XAl3 (X=Si, Ge, Sn, Pb) and their anions and cations.
13. Z.W. Li, C. Y. Zhao, L.P. Chen, THEOCHEM, 810, 1 (2007), Sandwich complexes of the P42- aromatic ring with the first row transition metal.
14. Z.W. Li, C. Y. Zhao, L.P. Chen, J. Theo. Comp. Chem., 2, 363 (2007), Theoretical study of sandwich complexes [Fe(η4-E4)2]2- (E=N, P, As, Sb, and Bi) .
15. 李志偉，趙存元，陳六平，化學進展，18, 1599 (2006)， 芳香性團簇的結構和光譜性質的理論研究進展
16. 周玉炳，柯卓鋒，趙存元，化學學報，20, 2071 (2006)， Ru(II)催化有機疊氮與炔反應機理的理論研究
17. C. Y. Zhao, X,F. Lin, W.M. Kwok, X.G. Guan, Y. Du, D.Q. W.K. Fa Hung and D. Lee Phillips, Chem. Eur. J., 11, 1093 (2005), Water-Catalyzed Dehalogenation Reactions of the Isomer of CBr4 and its Reaction Products and a Comparison to Analogous Reactions of the Isomers of Di- and Trihalomethane.s
18. D. L. Phillips, C. Y. Zhao, D. Wang,，J. Phys. Chem. A., 109, 9053 (2005). A Theoretical Study of the Mechanism of the Water Catalyzed HCl Elimination Reactions of CHXCl(OH) (X=H, Cl) and HClCO in the Gas Phase and in Aqueous Solution.
19. X.F. Lin, C. Y. Zhao, D. L. Phillips,J. Org. Chem., 70, 9279 (2005), Modeling SN2 Reactions in Methanol Solution by ab Initio Calculation of Nucleophile Solvent-Substrate Clusters.
20. R. Fang, Z.Y. Geng, Y.C. Wang, C.Y. Zhao, L.Z. Yang, X.H. Zhang Phys. Chem. Lett. 414, 174(2005), Theoretical study of the insertion reaction of CH3O-H by singlet alkylidenecarbenes.
21. X. Q.Guan, X.F. Lin, D. Yong, Y.L. Li, W. M. Kwok, C. Y. Zhao, D.Q. Wang, D. L. Phillips, J. Phys. Chem. A, 109, 1247 (2005), Ultraviolet photolysis of CH2I2 in methanol: O-H insertion and HI elimination reactions to form a dimethoxymethane product.
22. X.F. Lin, X. Q.Guan, W. M. Kwok, C. Y. Zhao, D. Yong, Y.L. Li, D. L. Phillips, J. Phys. Chem. A, 109, 981 (2005), Water-catalyzed O-H Insertion/HI elimination reactions of isodihalomethanes (CH2X-I, where X = Cl, Br, I) with water and the dehalogenation of dihalomethanes in water-solvated environment.s
23. X.F. Lin, C. Y. Zhao, D. L. Phillips, MOLECULAR SIMULATION 31, 483 (2005) An ab initio study of the reactions of CH2X-X (X = Cl, Br, I) isopolyhalomethanes with nCH3OH.
24. W. M. Kwok, C. Y. Zhao, Y-L Li, X., Guan, D. Q. Wang, D. L. Phillips, J. Am. Chem. Soc., 126, 3119 (2004), 水催化異溴仿(CHBr3)脫鹵反應及其產物，Water-Catalyzed Dehalogenation Reactions of Isobromoform and Its Reaction Products
25. C. Y. Zhao, K. Balasubramanian, J. Chem. Phys., 22，10501 (2004), Spectroscopic Properties of Novel Aromatic Metal Clusters: NaM4 (M=Al, Ga, I) and their cations and anions.
26. D. Wang, C. Y. Zhao, and D. L. Phillips, Organometallics, 23, 1953 (2004), Theoretical Study of Divalent Lanthanide (Sm and Yb) Complexes with A Triazacyclononane– Functionalized Tetramethyly-clopentadienyl Ligand.
27. D. Wang, C. Y. Zhao, and D. L. Phillips,J. Org. Chem., 69, 5512 (2004), Samarium(III) Carbenoid as a Competing Reactive Species in Samarium-Promoted Cyclopropanation Reactions.
28. X.F. Lin, C. Y. Zhao, D. L. Phillips, Phys. Chem. Lett. 397, 488(2004), Ab initio investigation of the O-Y (Y = CH3, H) insertion/HI elimination reactions of CH2I-I with CH3OH and H2O: comparison of methanol and water catalyzed reactions.
29. C. Y. Zhao, D. Wang, and D. L. Phillips, J. Am. Chem. Soc., 125, 15200 (2003), 釤類卡賓化合物與乙烯環丙烷反應機理及溶劑效應的理論研究，Theoretical Study of Samarium (II) Carbenoid (ISmCH2I) Promoted Cyclopropanation Reactions with Ethylene and the Effect of THF Solvent on the Reaction Pathways.
30. C. Y. Zhao, D. Wang, and D. L. Phillips, J. Theo. Comp. Chem., 2, 357 (2003), Density Functional Theory Study of Selected Mono Zinc and Gem-Dizinc Radical Carbenoid Cyclopropanation Reactions: Observation of an Efficient Radical Zinc carbenoid Cyclopropanation Reaction and the Influence of the Leaving Group on Ring closure.
31. C. Y. Zhao, D. Wang, and D. L. Phillips, J. Am. Chem. Soc., 124, 12903 (2002), 高活性偕二鋅及單鋅類卡賓化合物與乙烯環丙烷反應性能的密度泛函研究，A Density Functional Theory Investigation of the Remarkable Reactivity of Geminal Dizinc Carbenoids (RZn)2CHI (R=Et or I) as Cyclopropanation Reagents with Olefins Compared to Mono Zinc Carbenoids RZnCHI2, EtCHIZnR (R=Et or I).
32. C. Y. Zhao and K. Balasubramanian, J. Chem. Phys., 116, 10287 (2002), 鉛六聚體及其離子的結構及光譜性質，Geometries and Spectroscopic Properties of Lead Hexamer and its ions (Pb6, Pb and Pb).
33. C. Y. Zhao and K. Balasubramanian, J. Chem. Phys., 116, 3690 (2002), 矽五、六聚體及其離子的結構及光譜性質，Geometries and Spectroscopic Properties of Silicon Clusters (Si5, Si , Si ,Si6, Si , and Si).
34. C. Y. Zhao and K. Balasubramanian, J. Chem. Phys., 115, 3121(2001), 鍺、錫六聚體及其離子的結構及光譜性質，Geometries and Spectroscopic Properties of Germanium and Tin Hexamers (Ge6, Ge, Ge ,Sn6, Sn , and Sn).
35. Charles Edwin Webster, Michael B. Hall, D. A. Singleton, M.J. Szymanski, C. Y. Zhao, Guochen Jia and Zhenyang Lin, J. Am. Chem. Soc., 123, 9822 (2001), Minimum Energy Structure of Hydridotris(pyrazolyl)borato Iridium(V) Tetrahydride Is Not a C3v Capped Octahedron.
36. Zhitao Xu, C. Y. Zhao and Zhenyang Lin, J. Chem. Soc. Perkin Trans. II, 2319-2323 (2000), A New Approach to the Distortion of the Tetrahedral Geometry at E in the E(ZXY2)4 Compounds.
37. C. Y. Zhao, Wenshan Duan, Yong Zhang, Xiao-Zeng You,J. Chem. Res., 156-157, 耦合常數與鍵角的關係， Correlation of Coupling Constants JCH and Bond Force Angles in Strained Organic Molecules.
38. Yong Zhang, C. Y. Zhao, Wei-Hai Fang, Zu-Hong Lu, J. Mol. Struc. THEOCHEM, 454 (1), 31-40 (1998), High accuracy studies on the ground state and transition state of SiC2.
39. C. Y. Zhao, Yong Zhang, Xiao-Zeng You,J. Phys. Chem. A, 101, 5174-5182 (1997), 有機張力分子彎鍵特徵和張力評價的理論研究， Theoretical Evaluation of Bent Bond, Strain and Bonding Behavior of Strained Organic Molecules.
40. Yong Zhang, C. Y. Zhao, Xiao-Zeng You, J. Phys. Chem. A, 101, 2879-2885 (1997), A Systematic Study On Structures And Bondings of the Charge-Transfer Complexes of Ammonia With HX, XY And X2 (X And Y Are Halogens).
41. Yong Zhang, C. Y. Zhao, Wei-Hai Fang, Xiao-Zeng You, Theor. Chem. Acc., 96, 129-134 (1997), A Molecular Design View on the First Hyperpolarizability of Salicyli-deneaniline Derivatives.
42. Tian Yu-peng, Duan Chun-ying, C. Y. Zhao, Lu Zhong-lin and You Xiao-zeng, Inorg. Chem., 36, 1247-1252 (1997), Synthesis, Crystal Structure and Second-order Optical Nonlinearity of the bis(2-chlorobenzaldehyde Thiosemicarbazone)Cadmium Halide (CdL2X2) (X=Br, I).
43. Yong Zhang, C. Y. Zhao, Xiao-Zeng You, Chin. Chem. Lett., 8, 323 (1997), Theoretical Study on the Structures, Vibrational Spectra, and the nature of the Intermediate Hydrogen Bond of Schiff Bases.
44. C. Y. Zhao, Yong Zhang, Wei-Hai Fang, Xiao-Zeng You, J. Mol. Struct. (Theochem), 367, 73-82 (1996), A Theoretical Study On The Hyperpolarizabilities Of Dicyanovinyl And Tricyanovinyl Substituted Benzenes, Stilbenes, Styrenes And Azobenzenes.
45. C. Y. Zhao,Yong Zhang, Wei-Hai Fang, Xiao-Zeng You, Chin. J. Chem., 14, 393 (1996), Semiempirical Prediction of the Hyperpolarizabilities for Cyanovinyl-substituted Donor-Acceptor Molecules.
46. 趙存元，蕭泰，許先芳，游效曾，17, 769 (1996)， 含環有機分子耦合常數與鍵角的關係，高等學校化學學報.
47. 趙存元，邱文元，許先芳等，高等學校化學學報, 16, 1587 (1995)，有機張力分子彎鍵特徵的理論研究.
48. 趙存元，王永成，邱文元，韋統師, 科學通報, 36, 331-333 (1992)， 多面體碳烷的結構與張力特性研究.
49. 趙存元，王永成，韋統師，化學學報, 50, 228-332 (1992)，寶塔烷電子結構與張力的ab initio研究.
50. C. Y. Zhao, Tongshi Wei, Chin. Sci. Bull., 37, 1529-1532 (1992), Studies on Structures and Strain Behaviors of Polyhedranes (CH)n .
51. 趙存元，韋統師，邱文元，化學學報，49, 546-552 (1991)，小螺槳烷的彎鍵研究.
52. 趙存元，韋統師，邱文元，高等學校化學學報，12, 932-934 (1991)，小螺槳烷C-C中心鍵的量子化學研究.
