主讲课程：
物理化学、物理化学实验、化学与健康、计算机在化学中的应用
研究领域：
功能电解质、绿色介质 

2010-年至今研究成果 (Updated on 2025-12-12)

[1] H.J. Lv, M.M. Ruan, Y.P. Wen, L. Zhou, P.Z. Zhao, X.P. Xuan, Toward understanding ammonia capture in two amino-functionalized metal-organic frameworks using in-situ infrared spectroscopy and DFT calculation, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 324 (2025).

[2] L.L. Li, C.M. Huo, P.J. Liu, F. Yang, L.B. Guo, Z.W. Wang, X.P. Xuan, Comparative study of three new benzoindole-based fluorescent building blocks: Synthesis, crystal structure, optical properties, and DFT calculations, JOURNAL OF MOLECULAR STRUCTURE 1348 (2025).

[3] Q. Han, Y.F. Bai, Q.Y. Men, M.M. Ruan, X.P. Xuan, L. Zhou, Synthesis and Characterization of Two Cd2+-Based Metal-Organic Frameworks and Their Ammonia Adsorption Performance, RUSSIAN JOURNAL OF INORGANIC CHEMISTRY 70(5) (2025) 733-740.

[4] Z. Cui, L.Y. Hao, Y.F. Yuan, X.P. Xuan, G.X. Jin, Stereoselective Self-Assembly of a Topologically Chiral [6]Catenane with 18 Crossings, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 64(41) (2025).

[5] X.D. Yang, H.J. Lv, W.J. Dong, Y.P. Wen, M.M. Fu, Q.Q. Zhang, L. Zhou, X.P. Xuan, Recycling Organic Dyes within the Metal-Organic Framework for Photothermal Conversion, INORGANIC CHEMISTRY 63(29) (2024) 13714-13723.

[6] Z.X. Li, Y.L. Shi, Y.M. Ding, D.Z. Xiong, Z.Y. Li, H.Y. Wang, J.K. Qiu, X.P. Xuan, J.J. Wang, Zr-Based MOF-Stabilized CO2-Responsive Pickering Emulsions for Efficient Reduction of Nitroarenes, LANGMUIR 40(6) (2024) 3133-3141.

[7] X.L. Zhang, W.W. Zi, J. Zhou, L. Zhou, J. Zhang, X.P. Xuan, Li-Mn Bimetallic Metal-Organic Framework and Its Derivative as a Cathode for Lithium-Ion Batteries, INORGANIC CHEMISTRY 62(24) (2023) 9501-9507.

[8] X.G. Zhang, S. Chen, T. Zheng, X.P. Xuan, Y.P. Wen, Lattice Tuning of Copper Single-Crystal Surface for Electrochemical Carbon Monoxide Coupling Reaction: A Density Functional Theory Simulation, CHEMELECTROCHEM 10(19) (2023).

[9] Y. Wang, Y.L. Shi, D.Z. Xiong, Z.Y. Li, H.Y. Wang, X.P. Xuan, J.J. Wang, Metal chloride functionalized MOF-253(Al) for high-efficiency selective separation of ammonia from H2 and N2, CHEMICAL ENGINEERING JOURNAL 474 (2023).

[10] R. Peng, Y.Y. Guo, J.G. Liu, H.Y. Wang, Z.Y. Li, X.P. Xuan, Y. Zhao, J.J. Wang, Liquid phase exfoliation of metal-organic frameworks in aqueous quaternary ammonium hydroxide solution enables highly efficient photocatalytic CO2 reduction, JOURNAL OF MOLECULAR LIQUIDS 383 (2023).

[11] Y.K. Chen, S.Q. Gao, Y.F. Cheng, X.X. Tian, X.P. Xuan, H.Y. Wang, W.H. Yao, Z.Y. Li, G.S. Zhu, J.J. Wang, Isomerization of DASA Molecules in the Nanopores of Metal-Organic Frameworks: What Determines Its Reversibility?, CHEMISTRY-A EUROPEAN JOURNAL 29(27) (2023).

[12] L. Zhou, M.M. Ruan, W. Meng, Q.P. Wang, B. Liu, X.P. Xuan, J. Zhang, Two-dimensional coordination polymers with high proton conductivity and ultrafast highly efficient molecular sieving constructed by the structural inductive effect, DALTON TRANSACTIONS 51(15) (2022) 5796-5800.

[13] L. Zhou, W. Meng, L. Sun, L. Du, X.P. Xuan, J. Zhang, Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction, CRYSTENGCOMM 24(2) (2022) 231-234.

[14] J. Zhang, M. Abudoureheman, Z. Lian, J.W. Liu, Q. Wu, X.P. Xuan, Controllable Synthesis of Centrosymmetric/Noncentrosymmetric Phases for the Family of Halogen-Based Photonic Coordination Polymers to Enhance the Phase-Matching Second-Harmonic-Generation Response, INORGANIC CHEMISTRY 61(8) (2022) 3716-3722.

[15] Y. Wang, Y.L. Shi, Z.Y. Li, H.Y. Wang, J.K. Qiu, X.P. Xuan, J.J. Wang, Defects in a Metal-Organic Framework Fabricated by Carboxy-Functionalized Ionic Liquids for Enhancing NH3 Uptake, ACS SUSTAINABLE CHEMISTRY & ENGINEERING 10(37) (2022) 12457-12465.

[16] M.M. Ruan, A.Q. Li, Y.P. Wen, L. Zhou, J. Zhang, X.P. Xuan, Adenine-based bio-MOFs with high water and acid-base stability for ammonia capture, CRYSTENGCOMM 24(42) (2022) 7420-7426.

[17] Z.J. Min, Z.Y. Li, H.Y. Wang, X.P. Xuan, Y. Zhao, J.J. Wang, How Does the Moisture Affect CO2 Absorption by a Glycinate Ionic Liquid?, ACS SUSTAINABLE CHEMISTRY & ENGINEERING 9(2) (2021) 853-862.

[18] Z.Y. Li, A.Q. Li, Y.F. Zhou, L.J. Zhang, Y. Zhao, X.P. Xuan, From hydrophobity to hydrophilicity: Design, synthesis, structural transformation and distinguishment of highly symmetric 1,3-bis(carboxymethyl)imidazolium bis(trifluoromethyl)sulfonyl)amide ionic liquids, JOURNAL OF MOLECULAR STRUCTURE 1231 (2021).

[19] A.Q. Li, X.F. Ma, J. Ma, Q.Y. Yuan, J. Zhang, X.P. Xuan, A self-made portable separation device based on 2-D MOF nanosheets for the efficient separation of dyes in solutions, CRYSTENGCOMM 23(22) (2021) 3989-3994.

[20] J. Zhang, X.F. Ma, X.P. Xuan, Disordered Fragments of Chemical Structures Based on Single-crystal X-ray Diffraction, CHINESE JOURNAL OF STRUCTURAL CHEMISTRY 39(4) (2020) 698-708.

[21] J. Zhang, M. Abudoureheman, X.F. Ma, W.L. Kong, X.P. Xuan, S.L. Pan, Controllable synthesis and spontaneous phase transition of photonic coordination polymer to produce a strong second-harmonic generation response, SCIENCE CHINA-MATERIALS 63(7) (2020) 1272-1278.

[22] Y.H. Chen, Y.Z. Wang, Y.G. Yang, Y.H. Li, Y.F. Wang, G. Wang, T.D. James, X.P. Xuan, H. Zhang, Y.F. Liu, A molecular-logic gate for COX-2 and NAT based on conformational and structural changes: visualizing the progression of liver disease, CHEMICAL SCIENCE 11(24) (2020) 6209-6216.

[23] J. Zhang, X.F. Ma, W.L. Kong, G.D. Lu, X.P. Xuan, Cooperative proton transportation based on the reversible single crystal-single crystal transformation in a highly water-stable Cu-MOF with its facile and scalable preparation, CRYSTENGCOMM 21(44) (2019) 6693-6697.

[24] X.F. Ma, W.L. Kong, M. Abudoureheman, J. Zhang, X.P. Xuan, A homo-chiral helical coordination polymer constructed from an achiral ligand with excellent photo-physical properties and cell imaging application, NEW JOURNAL OF CHEMISTRY 43(37) (2019) 15023-15029.

[25] G.D. Lu, Z.H. Zhang, Y.Y. Tong, X.M. Liu, X.F. Ma, X.P. Xuan, Structural Transformation Pathways of Alkaline Earth Family Coordination Polymers Containing 3,3′,5,5′-Biphenyl Tetracarboxylic Acid, CHEMISTRY-AN ASIAN JOURNAL 14(11) (2019) 1970-1976.

[26] T. Jiang, X. Wang, G. Wang, Y.F. Wang, K. Wang, X.P. Xuan, C.P. Chen, K. Jiang, H. Zhang, Light-activated cycle-reversible intramolecular charge transfer fluorescent probe: monitoring of pHi trace change induced by UV light in programmed cell death, CHEMICAL COMMUNICATIONS 55(36) (2019) 5279-5282.

[27] B.D. Feng, K. Wang, J.W. Liu, G.J. Mao, J.Q. Cui, X.P. Xuan, K. Jiang, H. Zhang, Ultrasensitive Apurinic/Apyrimidinic Site-Specific Ratio Fluorescent Rotor for Real-Time Highly Selective Evaluation of mtDNA Oxidative Damage in Living Cells, ANALYTICAL CHEMISTRY 91(21) (2019) 13962-13969.

[28] Y.Y. Tong, H. Zhang, L.L. Chang, X.P. Xuan, pH-Dependent reversible crystal transformation of 1-carboxymethy1-1-methyl-pyrrolidinium bromides and their spectroscopic fingerprint, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 193 (2018) 197-202.

[29] R. Liang, Y.K. Guo, Y.T. Wang, X.P. Xuan, Ligand geometry-driven formation of Zn(II) MOFs based on 1,3-bis[2-(4-pyridyl)ethenyl] benzene and aromatic dicarboxylic acids, INORGANICA CHIMICA ACTA 471 (2018) 50-56.

[30] Z.F. Zhang, L. Wang, X.P. Xuan, The C=N•••C-X σ-hole interaction acts as a conformational lock, NEW JOURNAL OF CHEMISTRY 41(1) (2017) 42-46.

[31] H. Zhang, Y.F. Wang, X.P. Xuan, G. Wang, H.M. Guo, J.L. Fan, A dynamic invertible intramolecular charge-transfer fluorescence probe: real-time monitoring of mitochondrial ATPase activity, CHEMICAL COMMUNICATIONS 53(40) (2017) 5535-5538.

[32] H.Y. Wang, M. Liu, Y.L. Zhao, X.P. Xuan, Y. Zhao, J.J. Wang, Hydrogen bonding mediated ion pairs of some aprotic ionic liquids and their structural transition in aqueous solution, SCIENCE CHINA-CHEMISTRY 60(7) (2017) 970-978.

[33] X.M. Liu, Y.Y. Tong, A.J. Wang, X.P. Xuan, Synthesis, structural characterization, thermal stability, vibrational spectra and density functional theoretical studies of 1,3-bis(carboxymethyl)imidazolium nitrate ionic liquid, JOURNAL OF MOLECULAR LIQUIDS 246 (2017) 173-177.

[34] R. Liang, Y.T. Wang, Y.K. Guo, X.P. Xuan, Syntheses, Structures and Fluorescent Properties of Cadmium Coordination Polymers with 4-(2-(4-Imidazole)styryl)pyridine and Three Aromatic Dicarboxylic Acids, CHINESE JOURNAL OF INORGANIC CHEMISTRY 33(8) (2017) 1465-1473.

[35] Z.F. Zhang, N.N. Ma, X.P. Xuan, An unusual C=C•••C=O interaction in (Z)-3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates, NEW JOURNAL OF CHEMISTRY 40(1) (2016) 85-88.

[36] Y. Zhang, Z.Y. Li, H.Y. Wang, X.P. Xuan, J.J. Wang, Efficient separation of phenolic compounds from model oil by the formation of choline derivative-based deep eutectic solvents, SEPARATION AND PURIFICATION TECHNOLOGY 163 (2016) 310-318.

[37] H. Zhang, K. Wang, X.P. Xuan, Q.Z. Lv, Y.M. Nie, H.M. Guo, Cancer cell-targeted two-photon fluorescence probe for the real-time ratiometric imaging of DNA damage, CHEMICAL COMMUNICATIONS 52(37) (2016) 6308-6311.

[38] H. Zhang, C.X. Wang, K. Wang, X.P. Xuan, Q.Z. Lv, K. Jiang, Ultrasensitive fluorescent ratio imaging probe for the detection of glutathione ultratrace change in mitochondria of cancer cells, BIOSENSORS & BIOELECTRONICS 85 (2016) 96-102.

[39] A.J. Wang, Y. Zhao, X.M. Liu, L.L. Chang, X.P. Xuan, 1,3-Bis(carboxymethyl)imidazolium bis(trifluoromethylsulfonyl)imide organic salt: Synthesis, single crystal structure, vibrational spectra, DFT calculations and physical-chemical properties, JOURNAL OF FLUORINE CHEMISTRY 186 (2016) 7-11.

[40] A.J. Wang, H. Zhang, J.L. Gao, X.P. Xuan, Four novel metal-organic frameworks based on 3,4,7,8-tetramethyl-1,10-phenanthroline: Syntheses, structures, and thermal properties, RUSSIAN JOURNAL OF COORDINATION CHEMISTRY 42(4) (2016) 278-284.

[41] R. Liang, F.F. Yue, Y.T. Wang, Y.K. Guo, X.P. Xuan, Syntheses, structures and fluorescence properties of cadmium coordination polymers with triangular 1,3-bis[2-(4′-pyridyl)ethenyl]benzene and linear dicarboxylic acids, JOURNAL OF MOLECULAR STRUCTURE 1119 (2016) 301-307.

[42] J.P. Li, Y.Y. Zhang, H. Zhang, X.P. Xuan, M.S. Xie, S. Xia, G.R. Qu, H.M. Guo, Nucleoside-Based Ultrasensitive Fluorescent Probe for the Dual Mode Imaging of Microviscosity in Living Cells, ANALYTICAL CHEMISTRY 88(10) (2016) 5554-5560.

[43] Z.H. Zhang, Q. Zhang, Q.Q. Zhang, C. Chen, M.Y. He, Q. Chen, G.Q. Song, X.P. Xuan, X.F. Huang, From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability, ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS 71 (2015) 437-446.

[44] Q. Zhang, C.H. Zhang, J.H. Yang, P.Y. Xin, X.P. Xuan, J.G. Wang, N.N. Ma, H.M. Guo, G.R. Qu, A four-unit [c2]daisy chain connected by hydrogen bonds, CHEMICAL COMMUNICATIONS 51(83) (2015) 15253-15256.

[45] C.Y. Li, F.H. Cui, H. Zhang, X.P. Xuan, Ionothermal synthesis, properties and vibrational spectra of zinc (II) complex with nicotinamide, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 134 (2015) 367-371.

[46] W. Gao, Y. Tian, X.P. Xuan, How the cation-cation π-π stacking occurs: A theoretical investigation into ionic clusters of imidazolium, JOURNAL OF MOLECULAR GRAPHICS & MODELLING 60 (2015) 118-123.

[47] G.K. Cui, F.T. Zhang, X.Y. Zhou, Y.J. Huang, X.P. Xuan, J.J. Wang, Acylamido-Based Anion-Functionalized Ionic Liquids for Efficient SO2 Capture through Multiple-Site Interactions, ACS SUSTAINABLE CHEMISTRY & ENGINEERING 3(9) (2015) 2264-2270.

[48] X.P. Xuan, L.L. Chang, H. Zhang, N. Wang, Y. Zhao, Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids, CRYSTENGCOMM 16(14) (2014) 3040-3046.

[49] D.P. Zhou, C.P. Zhai, X.P. Xuan, Molecular structure and vibrational spectra of N4-acetylcytosine, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 112 (2013) 139-145.

[50] H. Zhang, L.L. Chang, N. Wang, X.P. Xuan, 1-Carboxymethyl-3-methyl-1H-imidazol-3-ium chloride 2-(3-methyl-1H-imidazol-3-ium-1-yl)acetate monohydrate: a crystal stabilized by imidazolium zwitterions, ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS 69 (2013) 1173-+.

[51] W. Gao, J.Q. Jiao, H.J. Feng, X.P. Xuan, L.P. Chen, Natures of benzene-water and pyrrole-water interactions in the forms of σ and π types: theoretical studies from clusters to liquid mixture, JOURNAL OF MOLECULAR MODELING 19(3) (2013) 1273-1283.

[52] W. Gao, J.Q. Jiao, H.J. Feng, X.P. Xuan, L.P. Chen, From clusters to liquid: what are the preferred ways for benzene and pyrrole to interact?, THEORETICAL CHEMISTRY ACCOUNTS 132(4) (2013).

[53] X.P. Xuan, N. Wang, Z.K. Xue, Synthesis, crystal structure, vibrational spectra and theoretical calculation of 1-carboxymethyl-3-methylimidazolium chloride, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 96 (2012) 436-443.

[54] W. Gao, H.J. Feng, X.P. Xuan, L.P. Chen, A theoretical study of N-H•••π H-bond interaction of pyrrole: from clusters to the liquid, MOLECULAR PHYSICS 110(18) (2012) 2151-2161.

[55] W. Gao, H.J. Feng, X.P. Xuan, L.P. Chen, The assessment and application of an approach to noncovalent interactions: the energy decomposition analysis (EDA) in combination with DFT of revised dispersion correction (DFT-D3) with Slater-type orbital (STO) basis set, JOURNAL OF MOLECULAR MODELING 18(10) (2012) 4577-4589.

[56] Y.J. Chen, X.P. Xuan, H.H. Zhang, K.L. Zhuo, Conductivities of 1-alkyl-3-methylimidazolium chloride ionic liquids in monosaccharide plus water solutions at 298.15 K, FLUID PHASE EQUILIBRIA 316 (2012) 164-171.

[57] X.P. Xuan, C.P. Zhai, Quantum chemical studies of FT-IR and Raman spectra of methyl 2,5-dichlorobenzoate, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 79(5) (2011) 1663-1668.

[58] X.P. Xuan, Y.L. Wang, N. Wang, Density functional theory calculations of structure, FT-IR and Raman spectra of S-phenyl thioacetate, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 81(1) (2011) 236-241.

[59] X.P. Xuan, X.S. Wang, N. Wang, Theoretical study of molecular structure and vibrational spectra of 1,4-dihydroxyanthraquinone, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 79(5) (2011) 1091-1098.

[60] X.P. Xuan, M. Guo, Y.C. Pei, Y. Zheng, Theoretical study on cation-anion interaction and vibrational spectra of 1-allyl-3-methylimidazolium-based ionic liquids, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 78(5) (2011) 1492-1499.

[61] Y. Zheng, X.P. Xuan, J.J. Wang, M.H. Fan, The Enhanced Dissolution β-Cyclodextrin in Some Hydrophilic Ionic Liquids, JOURNAL OF PHYSICAL CHEMISTRY A 114(11) (2010) 3926-3931.

[62] X.P. Xuan, Y.H. Xie, Y. Zhao, Ab initio Calculations of Vibrational Frequencies and Structures of Ion Pairs of Perchlorate, SPECTROSCOPY AND SPECTRAL ANALYSIS 30(9) (2010) 2537-2540.

[63] R. Liang, M.R. Yang, X.P. Xuan, Thermal Stability and Thermal Decomposition Kinetics of 1-Butyl-3-methylimidazolium Dicyanamide, CHINESE JOURNAL OF CHEMICAL ENGINEERING 18(5) (2010) 736-741.