Photochemical Synthesis of H2O2 from the H2O…O(~3P)van der Waals Complex:Experimental Observations in Solid Krypton and Theoretical Modeling

Susanna Pehkonen; Kseniya Marushkevich; Leonid Khriachtchev

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Photochemical Synthesis of H2O2 from the H2O…O(~3P)van der Waals Complex:Experimental Observations in Solid Krypton and Theoretical Modeling

机译：H2O…O（〜3P）范德华配合物光化学合成H2O2：固体K的实验观察及理论模型

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Productive photochemical synthesis of hydrogen peroxide,H2O2,from the H2O…O(~3P)van der Waals complex is studied in solid krypton.Experimentally,we achieve the three-step formation of H2O2 from H2O and N2O precursors frozen in solid krypton.First,193 nm photolysis of N2O yields oxygen atoms in solid krypton.Upon annealing at ~25 K,mobile oxygen atoms react with water forming the H2O…O complex,where the oxygen atom is in the triplet ground state.Finally,the H2O…O complex is converted to H2O2 by irradiation at 300 nm.According to the complete active space self-consistent field modeling,hydrogen peroxide can be formed through the photoexcited H2O~+-O~-charge-transfer state of the H2O…O complex,which agrees with the experimental evidence.

机译：研究了在固态k中由H2O…O（〜3P）范德华配合物生产光化学合成过氧化氢H2O2的方法。实验实现了从固态k中冷冻的H2O和N2O前体形成H2O2的三步法。在193 nm下，N2O的光解会产生固体k中的氧原子。在〜25 K退火时，移动的氧原子与水反应形成H2O…O络合物，其中氧原子处于三重基态。最后，H2O…O在300 nm处通过辐照将配合物转化为H2O2。根据完整的活性空间自洽场模型，可以通过H2O…O配合物的光激发H2O〜+ -O〜-电荷转移态形成过氧化氢。同意实验证据。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2007年第45期|共6页
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Susanna Pehkonen; Kseniya Marushkevich; Leonid Khriachtchev;
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1. Photochemical Synthesis of H2O2 from the H2O…O(~3P)van der Waals Complex:Experimental Observations in Solid Krypton and Theoretical Modeling [J] . Susanna Pehkonen, Kseniya Marushkevich, Leonid Khriachtchev The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2007,第45期

机译：H2O…O（〜3P）范德华配合物光化学合成H2O2：固体K的实验观察及理论模型
2. Theoretical studies of potential energy surface and rotational spectra of Xe-H2O van der Waals complex [J] . Wang L, Yang M The Journal of Chemical Physics . 2008,第17期

机译：Xe-H2O van der Waals配合物的势能面和旋转光谱的理论研究
3. Observation of van der waals vibrations in zero kinetic energy (ZEKE) Photoelectron spectra of tolunene-Ar van der Waals complex [J] . H. Inoue, S. Sato, K. Kimura Bulletin of Canadian Petroleum Geology . 1998,第Parta1期

机译：零动能范德华振动的观察甲苯-范德华配合物的光电子能谱
4. MICMOC/MICMOS: Photochemistry of van der Waals solids and the rise of the organic molecular complexity [C] . L. Le Sergeant dHendecourt, P. de Marcellus, P. Modica Colloquium of the CNRS Interdisciplinary Initiative "Planetary Environments and Origins of Life " . 2014

机译：Micmoc / Micmos：Van der Wa族的光化学和有机分子复杂性的升高
5. Introductory work on laser spectroscopy of van der Waals complexes based on cadmium argon and cadmium krypton molecules: Experimental techniques and methods of data evaluation. [D] . Hu, Ji. 2007

机译：基于镉氩和镉k分子的范德华配合物的激光光谱学入门工作：实验技术和数据评估方法。
6. Observation of scalar nuclear spin–spin coupling in van der Waals complexes [O] . Micah P. Ledbetter, Giacomo Saielli, Alessandro Bagno, 2012

机译：范德华配合物中标量核自旋-自旋耦合的观察
7. Photochemical Synthesis of H2O2 from the H2OO(3P) van der Waals Complex: Experimental Observations in Solid Krypton and Theoretical Modeling [O] . -1

机译：H2O2的光化学合成H2O2（3P）范德瓦尔斯复合体：实体氪和理论模型中的实验观察
8. Theoretical Studies of Vibrationally Assisted Reactions of the 03.NO van der Waals Complex [R] . Arnold, C., Gettys, N. S., Thompson, D. L., 1986

机译：03.NO范德华复合物振动辅助反应的理论研究

Photochemical Synthesis of H2O2 from the H2O…O(~3P)van der Waals Complex:Experimental Observations in Solid Krypton and Theoretical Modeling

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