Jianyong Liu Prof.

Dalian Institute of Chemical Physics, CAS
Telephone: 0411-84379195
Mobile phone: 13591392275
457 Zhongshan Road, Dalian, China 116023 


Research Areas

Molecular Reaction Dynamics


Ph.D. Dalian Institute of Chemical  Physics, CAS  


(1) Thermochemistry and Initial Decomposition Pathways of Triazole Energetic Materials, J. Phys. Chem. A, 2020
(2) Unraveling the Mechanism of cyclo-N5− Production through Selective C−N Bond Cleavage of Arylpentazole with Ferrous Bisglycinate and m‑Chloroperbenzonic Acid: A Theoretical Perspective, J. Phys. Chem. Lett., 2020
(3) A new interpretation of the ESIPT mechanism of 2-(benzimidazol-2-yl)-3-hydroxychromone derivatives, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2020
(4) Theoretical insights into the sensing mechanism of a series of terpyridine-based chemosensors for TNP, Chemical Physics Letters, 2019
(5) Theoretical perspective on the reaction mechanism from arylpentazenes to arylpentazoles: new insights into the enhancement of cyclo-N5 production, Chem. Commun., 2019
(6) A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties, Org. Chem. Front., 2019
(7) Reaction mechanisms of 3-amino-4-nitro-furoxan formation by 3-amide-4-nitro-furoxan and sodium hypochlorite in water and benzene solvents, Computational and Theoretical Chemistry, 2018
(8) Formation mechanisms of 3,4-dinitrofuroxan via nitration reaction of furoxan, Chemical Physics Letters, 2016
(9) Reaction Mechanism of 3,4-Dinitrofuroxan Formation from Glyoxime: Dehydrogenation and Cyclization of Oxime, ChemPhysChem, 2016
(10) Photoisomerization mechanism of 1,10-dimethyl-2,20-pyridocyanine in the gas phase and in solution, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015
(11) New Excited-State Proton Transfer Mechanisms for the 1,8-dihydroxydibenzo [a,h] phenazine, Journal of Physical Chemistry A, 2015
(12) The Charge Transfer Phenomenon in Benzene–Pyrene–Sulfoxide/Methanol System: Role of the Intermolecular Hydrogen Bond in Excited States, Journal of Cluster Science, 2015
(13) Competitive excited-state single or double proton transfer mechanism for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives,  Phys. Chem. Chem. Phys., 2015

Research Interests

(1) The key synthesis reaction mechanism of energetic materials.

(2) The dynamic mechanism of combustion and explosion of energetic materials . 

(3) The excited state dynamics of complex molecular system studied by ultrafast time-resolved spectroscopy and theoretical chemical calculation.