简介
我的简介:
教育与工作经历
1978.2/1982.2, 浙江化工学院, 化工系，分析化学（本科）
1982.3/2000.11, 浙江理工大学, 助教、讲师（1988年）、副教授（1996年）、教授（2000年）
1996.9/2000.8, 香港大学化学系博士研究生
2001年/至今，浙江理工大学硕士生导师、（博士生导师，2003年）
2000年，浙江省“151人才”工程第二层次人选
2003年，浙江省高校中青年学科带头人重点资助人选
2002.7/2007.11，浙江理工大学理学院副院长
2007.6/至今，浙江理工大学启新学院院长
2003.1/至今，浙江省第十、十一、十二届人大常委会委员
2008.1/至今，浙江省第十一、十二届人大环境资源委员会委员
浙江省化学会常务理事
中国化学会化学动力学专业委员会委员
浙江理工大学校学术委员会委员
研究领域
我的研究领域:
The excited state structures, reaction dynamics and molecular properties of biologically important molecules, organic compounds, metal-ligand coordinate compounds. Structure characterization of the short-lived transient species observed in the organic photochemistry. The conical intersectional dynamics probed by using the resonance Raman spectroscopy and CASSCF computations.
n Conical intersectional dynamics
A conical intersection of two potential energy surfaces is the set of molecular geometry points where the two potential energy surfaces are degenerate (intersect) and the non-adiabatic couplings between these two states are non-vanishing. In the vicinity of conical intersections, the Born-Oppenheimer approximation breaks down, allowing non-adiabatic processes to take place. The location and characterization of conical intersections are therefore essential to the understanding to a wide range of reactions, such as photo-reactions, explosion and combustion reactions, etc. While significant progresses have been made in understanding conical intersection dynamics experimentally, the conical intersection region has not been accessed directly in most experimental studies to date and experimental evidence for the existence of conical intersection has mostly been circumstantial. The real-time study of the dynamics associated to conical intersections is still a major challenge to the latest techniques of ultrafast measurement. We have recently been using resonance Raman spectroscopy, a frequency domain analogue for real-time ultrashort pulse experiment, in conjunction with the advanced quantum mechanical CASSCF calculation to reveal the conical intersectional structural dynamics within or nearby the Franck-Condon region (FC) for various molecular systems, such as thiophene, pyrazine, thioanisole, 4-cyanobenzaldehyde, a,b-enones, nucleobases, etc.
n Photoinduced Electron-Transfer and Structural dynamics
Photoinduced electron-transfer and structural dynamics are key processes important for photochemistry and theoretical chemistry, and have implications in material science, bio-systems, environmental science, etc. We have recently been carried out investigations of the photodissociation dynamics of nitroaromatics, heterocyclic halides, neucleo bases and neucleotides, aromatic carbonyl molecules, halogen-benzene complexes, metal-ligand complexes to investigate systematically how similar molecular system with different substitutents affect their photodissociation dynamics and energy partitioning. This project seeks to use a combination of experimental and theoretical studies to better understand how the systems (aromatic compounds, heterocyclic aromatic compounds, metal-ligand complexes), and the factors (molecular symmetry, substituents, ortho-/para-effects) determine or manipulate the structural dynamics and the subsequent passway (photodissociation, photoisomerization, internal conversion, intersystem crossing, etc.) followed after the photoinduced electron-transfer.
n Intramolecular Excited State Proton Transfer Reaction (IESPT)
IESPT reactions have been observed to play an important role in many chemical and biological systems, and have found many important applications in laser materials, polymer photostablizers, information storage devices, etc. We have recently used the resonance Raman intensity analysis as well as density functional theory calculations to better understand the Franck-Condon region proton-transfer dynamics of the model compounds 2-hydroxybenzaldehyde, 2-nitrophenol and their derivatives. and their possible roles in the electronic excited state processes of biosystems.
n Photodissociation and Photoisomerization of Polyhaloalkanes
Polyhalomethanes like CFCl3, CCl4, CHBr3, CHBr2Cl, CH2I2, CH2Br2 and CH2BrI have been observed in the atmosphere and are important sources of reactive halogen species in the atmosphere. Polyhalomethanes are also of interest in synthetic chemistry for cyclopropanation reactions. We have recently shown that ultraviolet photolysis of polyhalomethanes in room temperature solutions leads to appreciable formation of novel iso-polyhalomethane photoproduct species. The iso-diiodomethane species can act as the methylene transfer agent in photo-cyclopropanation reactions using photolysis of diiodomethane in the presence of olefins. We are using resonance Raman and time-resolved resonance Raman spectroscopy as well as density functional theory calculations to better understand the iso-polyhalomethane species and its chemical reactivity.
代表性论著（Selected Publications）
We have published more than 100 articles in the Peer-reviewed international journals, such as J. Chem. Phys., J. Phys. Chem. J. Raman Spectrosc., etc.. The listed below are the selected ones.
1、 Short-time dynamics of 2-thiouracil in the light absorbing S2(ππ∗) state, Jie Jiang, Teng-shuo Zhang, Jia-dan Xue, Xuming Zheng, Ganglong Cui, Wei-hai Fang, J. Chem. Phys. 2015, 143, 175103.
2、 Decay dynamics of a,b-carboxylic methyl esters (CH3OCOCH:CHR) in the lower-lying excited states – Resonance Raman and CASSCF study, J. Chem. Phys. 2014, 141, 134312(1-10)
3、 Structural dynamics of phenylisothiocyanate in the light-absorbing excited states - resonance Raman and complete active space self-consistent field calculation study, J. Chem. Phys. 2014, 140, 194305(1-11)
4、 Decay Dynamics of 3-methyl-3-pentene- 2-one from the light absorbing S2(pp*) state --- Resonance Raman Spectroscopy and CASSCF Study, J. Raman Spectroscopy 2014, 45, 438-447
5、 Structural dynamics of 4-cyanobenzaldehyde in S2(pp*) state, J. Raman Spectroscopy, 2014, 45, 105-113
6、 Excited State Structures and Decay Dynamics of 1,3-Dimethyluracils in Solutions --- Resonance Raman and Quantum Mechanical Calculation Study, Ming-Juan Li, Ming-Xia Liu, Yan-Ying Zhao, Ke-Mei Pei, Hui-Gang Wang, Xuming Zheng*, J. Phys. Chem. B, 2013, 117(39), 11660-11669.
7、 A-band Structural Dynamics of Thioanisole by Resonance Raman Spectroscopy, Ming-Xia Liu, Bin-Bin Xie, Ming-Juan Li, Yan-Ying Zhao, Ke-Mei Pei, Hui-Gang Wang, Xuming Zheng*, J. Raman Spectroscopy, 2013, 44, 440-446
8、 Structural Dynamics of 4-pyrimidone in Lower-lying Excited States, Ben-Feng He, Yan-Ying ZHAO, Ke-Mei PEI, Hui-Gang WANG, Xuming Zheng*, J. Raman Spectroscopy, 2013, accepted
9、 Resonance Raman Spectroscopic and Density Functional Theory Investigation of the Excited State Structural Dynamics of 2-Mercapto-1-methylimidazole, Ji-Wen Jian, Hai-Bo Zhang, Cong-Qi Chen, Yanying Zhao, Xuming Zheng*, J. Raman Spectroscopy, 2013, 44, 582-589
10、 Vibronic-Coupling and Excited State Reaction Dynamics of Pyrazine in 1 1B2U (1pp*) State by Resonance Raman Spectroscopy and CASSCF Calculations, Jian-Li Guo, Chong Liu, Bin-Bin Xie, Yan-Ying Zhao, Ke-Mei Pei, Hui-Gang Wang, Xuming Zheng*, J. Raman Spectroscopy, 2012, 43, 1477-1486
11、 Resonance Raman Spectroscopic and Theoretical Study of Geometry Distortion of Thiourea in 2 1A state, Hai-Bo Zhang, Yan-Ying Zhao, Xuming Zheng*, Chinese Journal of Chemical Physics, 2012, 25, 1-10
12、 Resonance Raman spectroscopic and theoretical investigation of the excited state proton transfer reaction dynamics of 2-thiopyridone, Rui Du, Chong Liu, Yanying Zhao, Ke-Mei Pei, Hui-Gang Wang, Xuming Zheng*, Mingde Li, Jia-Dan Xue, David Lee Phillips*, J. Phys. Chem. B, 2011, 115 8266–8277.
13、 Resonance Raman intensity analysis of the A-band short-time photochemical dynamics of 4,5-ethylenedithio-1,3-dithiole-2-thione, Hui-gang Wang, Wen-fei Zhang, Bo Liu, ---, Xuming Zheng, J. Phys. Chem. A, 2011, 115, 14282-14291.
14、 Photofragmentation mechanisms of Nickel Methyl Xanthate---Resonance Raman and Density Functional Theory Investigation, Song-Lin Wei, Ping-Cai Gao, Yan-Ying Zhao, Hui-gang Wang, Xuming Zheng*, J. Raman Spectrosc., 2011, 42, 1025-1033.
15、 The investigation of Excited State Structural Dynamics of bis(2-thienyl)Ketone in the Condensed Phase using Raman, IR and UV-Visible Spectroscopy Aided by Density Functional Theory Calculation, Hui-gang Wang, Shao-song Shen, Li-bo Wang, Xuming Zheng, J. Phys. Chem. B, 2010, 114, 16847-16853.
16、 Short-time photodecay dynamics of meso-tetra(p-hydroxyphenyl)porphine in the condensed phase explored via resonance Raman spectroscopy and density functional theory calculation, Zhangzhu Wu, Jun Xu, JunminWan, Xuming Zheng, Huigang Wang, J. Raman Spectrosc. 2011, 42, 749-757.
17、 Resonance Raman intensity analysis of the excited-state photochemical dynamics of dimethyl 1,3-dithiole-2-thione-4, 5-dicarboxylate in the A-band absorption, Bo Liu, Bin Wu, Jun Xu, Hui-gang Wang, Xuming Zheng, J. Raman Spectrosc. 2010, 41, 1185-1193.
18、 A Resonance Raman Spectroscopic and CASSCF Investigation of the Franck-Condon Region Structural Dynamics and Conical Intersections of Thiophene, Xian-Fang Wu, Xuming Zheng*, Hui-Gang Wang, Yan-Yin Zhao, Xiangguo Guan, David Lee Phillips, Xuebo Chen and Weihai Fang, J. Chem. Phys., 2010, 133, 134507
19、 Excited State Structural Dynamics of Tetra(4-aminophenyl)porphine in the Condensed Phase: Resonance Raman Spectroscopy and Density Functional Theory Calculation Study, Huigang Wang,* Jun Xu, Junmin Wan, Yanying Zhao, and Xuming Zheng*, J. Phys. Chem. B 2010, 114, 3623–3632
20、 Excited-state structural dynamics and vibronic coupling of 1,3-dithiole-2-thione – resonance Raman spectroscopy and density functional theory calculation study, Huigang Wang, Bo Liu, Jun-min Wan, Jun Xu, Xuming Zheng*, J. Raman Spectrosc. 2009, 40, 992-997
21、 Resonance Raman spectra and Excited State Structural Dynamics of Ethylene Trithiocarbonate in the A- and B-band Absorptions, Huigang Wang, Bo Liu, Yanying Zhao, Xuming Zheng*, J. Raman Spectrosc. 2009, 40, 1312-1318
22、 The Role of Ribose in the Initial Excited State Structural Dynamics of Thymidine in Water Solution --- a Resonance Raman and Density Functional Theory Investigation, Xin-Ming Zhu, Hui-gang Wang, Xuming Zheng* and David Lee Phillips, J. Phys. Chem. B, 2008, 112, 15828–15836.
23、 Resonance Raman Study of the A-Band Short-Time Photodissociation Dynamics of 2,5-diiodothiophene, Cai-Bin Ruan, Hui-gang Wang, Ke-Mei Pei, Xuming Zheng*, J. Chem. Phys., 2008, 129, 214506.
24、 Resonance Raman and theoretical investigation of the photodissociation dynamics of benzamide in S3 state, Kemei Pei, Yufang Ma, Xuming Zheng*, J. Chem. Phys., 2008, 128, 224310
25、 Resonance Raman Intensity Analysis of the Excited state Proton-transfer Dynamics of 2-hydroxybenzaldehyde in the Charge Transfer/Proton Transfer Absorption Band, Xue-Lian Jiang, Ke-Mei Pei, Hui-Gang Wang, Xuming Zheng*, Wei-Hai Fang, and David Lee Phillips, J. Phys. Chem. A, 2007, 111, 13182-13192.
26、 Resonance Raman and Density Functional Theory Investigation of the Photodissociation Dynamics of the A-Band Absorption of (E)-β-nitrostyrene in Cyclohexane, Shu-Qiang Zhang, Hui-gang Wang, Ke-Mei Pei, Xuming Zheng* and David Lee Phillips J. Chem. Phys. 2007, 126, 194505.
27、 Resonance Raman Intensity Analysis of the excited-state Proton-transfer dynamics of o-nitrophenol in the CT-band absorption. Ya-Qiong Wang, Hui-Gang Wang, Shu-Qiang Zhang, Ke-Mei Pei, and Xuming Zheng*, and David Lee Phillips*, J. Chem. Phys. 2006, 125, 214506.
28、 Resonance Raman Study of the A-band short-time photodissociation dynamics of 2-iodothiophene, Hai-Lin Zhu, Jian Liu, Xuming Zheng*, and David Lee Phillips*, J. Chem. Phys. 2006, 125, 054510.
29、 Resonance Raman Investigation of the Short-time Photodissociation Dynamics of the Charge-Transfer Absorption of I2-benzene Complex in Benzene Solution, Ke-Feng Weng, Yan Shi, Xuming Zheng*, and David Lee Phillips*, J. Phys. Chem. A, 2006, 110, 851-860.
30、 Resonance Raman Study of the Photodissociation Dynamics of the CT-Band Absorption of Nitrobenzene in Cyclohexane Solution, Xin-Ming Zhu, Shu-Qiang Zhang, Xuming Zheng*, and David Lee Phillips*, J. Phys. Chem. A, 2005, 109, 3086-3093.
31、 Resonance Raman Study of the Short-time Photodissociation Dynamics of the A-Band Absorption of Cyclopropyl Iodide in Cyclohexane Solution, Xuming Zheng*, Yun-Liang Li, and David Lee Phillips*, J. Phys. Chem. A, 2004, 108, 8032-8039.
32、 Transient resonance Raman spectroscopy and density functional theory investigation of isoCHBr2Cl and iso-CCl3Br photoproducts produced following ultraviolet excitation of CHBr2Cl and CCl3Br, Xuming Zheng , Cheong Wan Lee, Yun-Liang Li, Wei-Hai Fang and David Lee Phillips, J. Chem. Phys. 2001, 114,8347-8356.
33、 Picosecond time-resolved resonance Raman observation of iso-CH2Cl-I and iso-CH2I-Cl photoproducts from the “Photoisomerization reaction of CH2ICl in the solution phase, Wai-Ming Kwaok, Chensheng Ma, Anthony W. Parker, David Phillips, Micheal Towrie, Pavel Matousek, Xuming Zheng, and David Lee Phillips, J. Chem. Phys. 2001, 114, 7536-7543
34、 Iso-diiodomethane is the methylene transfer agent in cyclopropanation reaction with olefins using ultraviolet photolysis of diiodomethane in solutions: A density functional theory investigation of the reaction of iso-diiodomethane, iodomethyl radical and iodomethyl radical cation with ethylene, David Lee Phillips, Wei-Hai Fang and Xuming Zheng, J. Am. Chem. Soc. 2001, 123, 4197-4203.
35、 Transient resonance Raman spectroscopy and density functional theory investigation of iso-polyhalomethanes containing bromine and/or iodine atoms, Xuming Zheng, Wei-Hai Fang, and David Lee Phillips, J. Chem. Phys. 2000, 113, 10934-10946.
36、 Photoisomerization reaction of CH2BrI following A-band and B-band photoexcitation in the solution phase: Transient resonance Raman observation of the iso-CH2I-Br photoproduct, Xuming Zheng and David Lee Phillips, J. Chem. Phys. 2000, 113, 3194-3203.
37、 Solvation Effects on the A-Band Photodissociation of Dibromomethane: Turning a Photodissociation into a Photoisomerization, Xuming Zheng, Wai Ming Kwok, and David Lee Phillips, J. Phys.Chem.A, 2000, 104, 10464-10470.
38、 Solvation can open the photoisomerization pathway for the direct photodissociation reaction of diiodomethane: time-resolved resonance Raman observation of the isodiiodomethane photoproduct from ultraviolet excitation of diiodomethane in the solution phase, Xuming Zheng and David Lee Phillips, J. Phys.Chem. A. 2000, 104, 6880-6886.
主持和承担的科研项目
1. 国家基金自然科学基金面上项目：羰基化合物激发态势能面交叉动力学的共振拉曼光谱和CASSCF计算研究（项目批准号：21473163），2015.1 ～ 2018.12, 90万
2. 国家基金自然科学基金重点项目: ,溶液及核酸环境中分子光化学反应机理的理论计算模拟和Raman光谱研究(项目批准号：21033002), 2011.1 ～ 2014.12，80万/240万。
3. 国家自然科学基金面上项目：光诱导分子内质子转移反应动力学（项目批准号：20573097）,2006.1 ～ 2008.12, 28万
4. 国家自然科学基金面上项目：电荷转移复合物光诱导反应短时动力学（项目批准号：20273062）, 2003.1 ～ 2005.12，22万
5. 省自然科学基金人才项目：光诱导的绿色有机合成及反应动力学(项目批准号：R405465), 2006.1 ～ 2008.12，40万
6. 教育部优秀青年教师资助计划：电荷转移复合物光诱导反应短时动力学（项目编号：1918）,2002.1 ～ 2004.12，10万
7. 国家科技部973计划项目：复杂体系的化学反应动力学—课题3：超低温条件下反应中间体的动力学研究（项目批准号：2007CB815203）, 2008.1 ～ 2012.12，50万/540万
