问题讨论与思考
|
|
|
|
|
|
单重态氧气分子的电子结构排布* |
曲泽星** |
吉林大学化学学院 理论化学研究所 吉林长春 130023 |
|
Electronic Structure for Singlet Oxygen |
QU Ze-Xing** |
Institute of Theoretical Chemistry, College of Chemistry, Jilin University,Changchun 130023, China |
|
摘要:单重态氧气分子是一种十分重要的“活性氧”(ROS),在燃烧、医疗、生物、材料等诸多领域扮演着十分重要的角色。单重态氧气分子电子结构介绍是“光化学”及“量子化学”课程中的重要内容。借助群论、波函数分析及高精度量子化学计算方法对单重态氧气分子的电子结构进行研究,通过对单重态氧气分子的电子结构排布方式的解析,帮助学生认清氧气分子电子结构排布方式和波函数之间的关系。
|
|
关键词: 氧气分子,
单重态氧,
激发态,
群论,
电子结构
|
|
基金资助:*国家自然科学基金面上项目(21873036) |
通讯作者:
**E-mail: zxqu@jlu.edu.cn
|
引用本文: |
曲泽星. 单重态氧气分子的电子结构排布*[J]. 化学教育(中英文), 2023, 44(16): 117-120
|
|
[1] |
Ryter S W, Tyrrell R M. Free Radical Biology and Medicine, 1998, 24 (9): 1520-1534
|
[2] |
Yang B, Chen Y, Shi J. Chemical Reviews, 2019, 119 (8): 4881-4985
|
[3] |
Ogilby P R. Chemical Society Reviews, 2010, 39 (8): 3181-3209
|
[4] |
You Y. Organic & Biomolecular Chemistry, 2018, 16 (22): 4044-4060
|
[5] |
Turro N J, Ramamurthy V, Scaiano J C, et al. 现代分子光化学. 北京:科学出版社,1987:435-438
|
[6] |
Lee J D. Concise Inorganic Chemistry. 5th ed. London: Chapman and Hall, 1996
|
[7] |
Shriver D F, Atkins F W. Inorganic Chemistry. 3rd ed. Oxford: Oxford University Press, 1999
|
[8] |
Cotton F A, Wilkinson G, Murillo C A, et al. Advanced Inorganic Chemistry. 6th ed. New York: Wiley, 1999
|
[9] |
Rayner-Canham G, Overton T. Descriptive Inorganic Chemistry. 3rd ed. New York: Freeman, 2003
|
[10] |
Di Mascio P, Martinez G R, Miyamoto S, et al. Chemical Reviews, 2019, 119 (3): 2043-2086
|
[11] |
Wilkinson F, Helman W P, Ross A B. Journal of Physical and Chemical Reference Data, 1993, 22 (1): 113-262
|
[12] |
Werner H J, Knowles P J, Knizia G, et al. WIREs Computational Molecular Science, 2012, 2: 242-253
|
[13] |
Qu Zexing. Physical Chemistry Chemical Physics, 2020, 22: 13373-13377
|
[14] |
Nyasulu F, Macklin J, Cusworth Ⅲ W. Journal of Chemical Education, 2002, 79: 356
|
[15] |
Tudela D, Fernandes V. Journal of Chemical Education, 2003, 80: 1381
|
[16] |
Duan Xiaowei, Zhou Zhongjun, Huang Xuri, et al. Physical Chemistry Chemical Physics, 2022, 24: 14165-14171
|
|
|
|