• Hong Gao

      Articles written in Journal of Chemical Sciences

    • Photoinduced electron transfer and its applications—Study on photochemical solar energy storage and polymeric photorefractive materials

      Xue-Song Wang Bao-Wen Zhang Guang-Qian He Yi Cao Hong Gao Shuo-Xing Dou Jia-Sen Zhang Pei-Xian Ye

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      The applications of photoinduced electron transfer, one in solar energy storage and the other in polymeric photorefractive materials are reported. In the former case, two new kinds of polymers containing norbornadiene and carbazole pendants were synthesized. The photoisomerization of norbornadiene pendants were achieved by irradiation with the light above the wavelength of 350 nm and a photoinduced electron transfer mechanism was proposed via fluorescence quenching, chemically induced dynamic nuclear polarization and thermodynamic discussion. In the latter case, a fast photorefractive response time of a polymer film composed of poly(N-vinylcarbazole), 2,4,7-trinitro-9-fluorenone and 4-(dicyanovinyl)-N,N-diethylaniline was observed by four-wave mixing diffraction measurement and the function of photoinduced electron transfer process in this photorefractive polymer film was also illustrated.

    • Quasi-classical trajectory study of the reaction H' + HS on a new ab initio potential energy surface H2S (3A")

      Jinghan Zou Shuhui Yin Dan Wu Mingxing Guo Xuesong Xu Hong Gao Lei Li Li Che

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      Theoretical study on the dynamics of reactions H' + HS(𝑣 = 0, 𝑗 = 0$)→H2 + S and H' + HS(𝑣 =0, 𝑗 = 0)→ H + H'S is performed with quasi-classical trajectory (QCT) method on a new ab initio potential energy surface for the lowest triplet state of H2S (3A") constructed in 2012 by Lv et al. The QCT-calculated reaction integral cross-sections are in good agreement with previous quantum wave packet results over the collision energy range of 0-50 kcal/mol. Both the abstraction and exchange reactions are governed by direct reaction dynamics and the trajectories follow the minimum energy path. The rotational angular momentum vector 𝑗' of products in the two reaction channels are not only aligned perpendicular to scattering plane but also oriented along the negative direction of the axis perpendicular to the scattering plane. With the increase in collision energy, the variation trends of product polarization in the two reaction channels are different and that may be attributed to the obviously different characteristic of the two channels on the potential energy surface.

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