主持和参与的科研项目

◆ 国家自然科学基金面上项目，红外光谱解离光谱中“标记”方法的探索及其应用，66万，2019.01~2022.12，2/8.

◆ 国家自然科学基金面上项目，金属氧化物与甲烷及其衍生物反应的基质隔离共振拉曼光谱研究，82万，2015.01~2018.12，1/7.

◆ 国家自然科学基金面上项目，基质隔离条件下金属团簇分子反应动力学研究,80万，2013.01~2016.12，1/7.

◆ 国家自然科学基金青年基金项目，基质隔离条件下卤代烃自由基复合物的反应动力学研究，19万，2009.01~2011.12，1/7.

◆ 国家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，240万，2011.01~2015.12，4/8.

◆ 浙江省自然科学基金项目，基质隔离条件下分子反应动力学，8万，2010.01~2011.12，1/6.

近五年代表性论文

★  Zhou Zhaoman, Yue Qianqian, Zhao Yanying*. A DFT Study on the Binuclear Copper(I)-Catalyzed Synthesis Mechanism of 1,2,3-Triazolo[1,5-c]Pyrimidine via Interrupted Click and Ketenimine Rearrangement. ChemPhysChem, 2022, 2022, 23, e202100751 (1 of 8). http://doi.org/10.1002/cphc.202100751.

★ Yu Fan, Zhou Zhaoman, Song Jiajia, Zhao Yanying*. DFT and AFIR study on the copper(I)-catalyzed mechanism of 5-enamine-trisubstituted-1,2,3-triazole synthesis via C–N cross-coupling and the origin of ring-opening of 2H-azirines[J]. RSC Advances, 2021, 11, 2744.

★ An Suosuo, Meng Shuang, Xue Jiadan, Wang Huigang, Zheng Xuming, Zhao Yanying*. UV–Vis, Raman spectroscopic and density functional theoretical studies on microsolvation 1, 2, 4-triazole-3-thione clusters[J]. Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, 2021, 258(5), 119762(1 of 7).

★ Song Jiajia, Quan Yaping, Zhao Yanying*, Wang Guanjun*. Infrared Spectroscopic and Density Functional Theoretical Study on the Binary RhodiumOxygen Rh₂O₉⁺ Cation[J]. Chemical Physics Letters, 2021, 780, 138926.

★  Duan Aimin, An Suosuo, Xue Jiadan, Zheng Xuming, Zhao Yanying*. Absorption, fluorescence, Raman spectroscopic and density functional theoretical studies on the singlet and triplet excited state decay of 3-amino-5-mercapto-1, 2, 4-triazole. RSC Advances 2020, 10(23), 13442. https://doi.org/10.1039/D0RA01628D

★  Quan Yaping, Zhao Yanying*. Density Functional Theoretical Study on the Electronic Structure of Rh₂O₇⁺ with Low Oxidation States[J]. ACS Omega, 2020, 5(31), 19422. https://doi.org/10.1021/acsomega.0c01321.

★ Wei Xin, Duan Aimin, Deng Yaoliang, Xue Jiadan, Zheng Xuming, Zhao Yanying*. Excited-state proton transfer via higher excited state in 2-mercaptobenzothiazole: Absorption, fluorescence, Raman spectroscopic study, and theoretical calculation[J]. Journal of Raman Spectroscopy 2020, 51, 125.

★ Deng Yaoliang, Liu Xin, Zhao Yanying,*Xue Jiadan, Zheng Xuming. Resonance Raman spectroscopic and density functional theoretical study on microsolvated 2-Thiocytosine clusters with polar solvents[J]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2020: 118043.

★ Zhao Yanying,* Yu Fan, Wang Caixia, Zhou Zhaoman. Simultaneous Formation of cis-and trans-CH₃OCu (OH) Intermediates in Methane Activation by Cu in Solid Ar[J]. Inorganic chemistry, 2019, 58(5): 3237-3246.

★ Liu Jiafeng, Xue Jiadan, Zhao Yanying,* Zheng Xuming. Short-time dynamics and decay mechanism of E, E-2, 4-hexadienal in the first light-absorbing S2 (π π*) state[J]. The Journal of Chemical Physics, 2019, 151(23): 234303.

★ Zhou Zhaoman, Zhao Yanying*. Noble Gas–Tungsten Peroxide Complexes in Noble Gas Matrixes: Infrared Spectroscopy and Density Functional Theoretical Study[J]. The Journal of Physical Chemistry A, 2019, 123(2): 556-564.

★ Wei X,in Duan Aimin, Deng Yaoliang,  Xue Jiadan, Zheng Xuming, Zhao Yanying*.  Excited‐state proton transfer via higher excited state in 2‐mercaptobenzothiazole: Absorption, fluorescence, Raman spectroscopic study, and theoretical calculation[J]. Journal of Raman Spectroscopy, 2019,1, 1-9.

★ Liu, X., Wei, X., Zhou, H., Meng, S., Zhao, Yanying*., Xue, J.,  Zheng, X. (2018). UV and Resonance Raman Spectroscopic and Theoretical Studies on the Solvent-Dependent Ground and Excited-State Thione→ Thiol Tautomerization of 4, 6-Dimethyl-2-mercaptopyrimidine (DMMP). The Journal of Physical Chemistry A, 122(26), 5710-5720.

★ Meng, S., Duan, A., Xue, J., Zheng, X.,  Zhao, Yanying*. (2018). UV–Vis, Fluorescence, and Resonance Raman Spectroscopic and Density Functional Theoretical Studies on 3-Amino-1, 2, 4-triazole: Microsolvation and Solvent-Dependent Nonadiabatic Excited State Decay in Solution. The Journal of Physical Chemistry A, 122(43), 8530-8538.

★ Meng, S., Zhao, Yanying*., Xue, J.,  Zheng, X. (2018). Environment-dependent conformation investigation of 3-amino-1, 2, 4-triazole (3-AT): Raman Spectroscopy and density functional theory. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 190, 478-485.

★ Pang, S., Zhao, Yanying*, Xin, L., Xue, J., & Zheng, X. (2017). Solvent-dependent dynamics of hydrogen bonding structure 5-(methylthio)-1, 3, 4-thiadiazole-2 (3H)-thione as determined by Raman spectroscopy and theoretical calculation. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 171, 470-477.