Education   

1991-1996    Department of Chemistry, Lanzhou University, Lanzhou, CHINA. Received PhD degree in May, 1996 (with Prof. You-Cheng Liu).  

1977-1982    Department of Chemistry, Anqing Normal University, Anqing, CHINA. Received BSc Degree in Jan, 1982.  

(1)     Physical organic chemistry.

(2)     Hydride chemistry.

Honors & Awards 
2001    Award for National Outstanding Young Scientist (National Natural Science Foundation of China)

Representative Achievements

(1) In 2003, pKH- parameter of organic compound was proposed and the pKH- values of more than 2000 organic compounds in acetonitrile have been successfully measured till now (Chem. Eur. J. 2003, 9, 871).

(2) In 2013, the principle error of Marcus theory on electron transfer was discovered, that is, Marcus theory on electron transfer directly violates the law of conservation of energy (JPOC, 2013, 26, 271).

(3) In 2013, a new kinetic equation of chemical reaction (Eq 3) was established to predict activation free energy of chemical reaction (Eq 1) based on only one characteristic parameter of each reactant (OBC, 2013, 11, 6071).

XL + Y → X + YL (L = H^-, H, H⁺, Br^-, NO⁺, CN^- ••• •••)         (1)

DG^o(XL/Y) = DG^o(XL) + DG^o(Y)                           (2)

DG^¹(XL/Y) = DG^¹o(XL) + DG^¹o(Y)                          (3)

In Eq 3,

DG^¹o(XL) = 1/2[DG^¹(XL/X) + DG^o(XL)]

DG^¹o(Y) = 1/2[DG^¹(YL/Y) + DG^o(Y)]

Note:

DG^o(XL/Y): free energy change of reaction (Eq 1).

DG^¹(XL/Y): activation free energy of reaction (Eq 1).

DG^o(XL): free energy change of reactant XL.

DG^o(Y): free energy change of reactant Y.

DG^¹o(XL): reactivity parameter of XL.

      DG^¹o(Y): reactivity parameter of Y.

(4) In 2016, the principle error of the traditional theories on kinetic isotope effect (KIE) was discovered (that is, the potential energy surfaces of the H and D transfer reactions are the same), and a new KIE theory was established. The new KIE theory can not only explain all KIE experimental findings, but also quantitatively predict KIE values of various chemical reactions (JPCA 2016, 120, 1779).

Selected Publications

1. Jing-Dong Yang, Bao-Long Chen and Xiao-Qing Zhu New Insight into the Mechanism of NADH Model Oxidation by Metal Ions in Nonalkaline Media J. Phys. Chem. B 2018, 122, 6888−6898.

2. Fu, Yan-Hua; Shen, Guang-Bin; Li, Yan; Yuan, Lin; Li, Jun-Ling; Li, Le; Fu, An-Kun; Chen, Jin-Ting; Chen, Bao-Long; Zhu, Li; Zhu, Xiao-Qing  Realization of Quantitative Estimation of Reaction Rate Constants Based on only One Physical Parameter of Each Reactant, Chemistry Select, 2017, 2, 904-925.

3. Guang-Bin Shen, Ke Xia, Xiu-Tao Li, Jun-Ling Li, Yan-Hua Fu, Lin Yuan, and Xiao-Qing Zhu  Prediction of Kinetic Isotope Effects for Various Hydride Transfer Reactions Using a New Kinetic Model J. Phys. Chem. A, 2016, 120, 1779-1799.

4. Xiao-Qing Zhu, Fei-Huang Deng, Jin-Dong Yang, Xiu-Tao Li, Qiang Chen, Nan-Ping Lei, Fan-Kun Meng, Xiao-Peng Zhao, Su-Hui Han, Er-Jun Hao, and Yuan-Yuan Mu A Classical but New Kinetic Equation to Replace Marcus Equation for Hydride Transfer Reactions Org. Biomol. Chem. 2013, 11, 6071-6089.

5. Xiao-Qing Zhu, Jin-Dong Yang Direct Conflict of Marcus Theory with the Law of Conservation of Energy J. Phys. Org. Chem. 2013, 26, 271-273.

6. Xiao-Qing Zhu, Ming-Tian Zhang, Ao Yu, Chun-Hua Wang, and Jin-Pei Cheng Hydride, Hydrogen Atom, Proton and Electron Transfer Driving Forces of Various Five-membered Heterocyclic Organic Hydrides and Their Reaction Intermediates in Acetonitrile J. Am. Chem. Soc. 2008, 130, 2501-2516.

7. Xiao-Qing Zhu, Min Zhang, Qiao-Yun Liu, Xiao-Xiao Wang, Jian-Yu Zhang and Jin-Pei Cheng A Facile Experimental Method to Determine the Hydride Affinity of Polarized Olefins in Acetonitrile Angew. Chem. Int. Ed. 2006, 45, 3954-3957.

8. Xiao-Qing Zhu, Wei-Fang Hao, Hui Tang, Chun-Hua Wang, and Jin-Pei Cheng Determination of N-NO Bond Dissociation Energies of N-Methyl-N-Nitrosobenzenesulfonamindes in Acetonitrile and Application in the Mechanism Analyses on NO Transfer J. Am. Chem. Soc., 2005, 127, 2696-2708.

9. Xiao-Qing Zhu, Yuan Yang, Ming Zhang, Jin-Pei Cheng First Estimation of C₄-H Bond Dissociation Energies of NADH and Its Radical Cation in Aqueous Solution J. Am. Chem. Soc. 2003, 125, 15298-15299.