| 查看: 367 | 回复: 1 | ||
[求助]
想请教一下关于自选多重度守恒的概念
|
|
什么是spin exciting呢？这段话应该怎么理解，是什么个意思呢？非常感谢高手的帮助，期待你们的交流。这段话如下：Molecular oxygen is spin triplet in its ground state, and the lowest two unfilled orbitals are a pair of minority orbitals that are antibonding in nature. The most likely reaction product with small aluminum clusters is AlO2-, which has a spin singlet ground state, although larger sizes are likely to produce small Aln- and neutral oxides. Furthermore, reactivity requires the filling of the minority LUMOs in 3O2. The filling of theseorbitals may be thought of as a spin multiplicity 3-1 excitation of the oxygen half of the complex and could be facilitated by spin orbit coupling. However, aluminum and oxygen have negligible spin orbit effects such that reactions should follow the Wigner Witmer rules of spin conservation.Therefore, the reaction has to conserve the overall spin of the system. For clusters with an odd number of electrons, the spin of the extra electron could align opposite to the majority spin electrons ofthe 3O2 molecule, and the spin conservation does not require any spin excitation of the metal counterpart. The situation is different for clusters with an even number of electrons since the decrease in the spin multiplicity of the oxygen half of the reacting cluster has to follow the spin excitation of the remaining portion to conserve the total spin. Consequently, the ability of3O2 the cluster to become spin excited to accommodate the triplet spin of oxygen must play a role in reactivity. |
回复此楼» 猜你喜欢
中科院西安光机所——聚焦功能材料创新｜诚邀参与 2026 年度学术研讨会。
已经有1人回复
-
中科院西安光机所——促进学术交流，推动产学研融合，分享领域成果，加强校企合作。
已经有1人回复
-
物理化学论文润色/翻译怎么收费?
已经有97人回复
-
中科院西安光机所——促进学术交流，推动产学研融合，分享领域成果，加强校企合作。
已经有0人回复
-
元素硫的化合价和氧化态
已经有1人回复
-
江苏科技大学2026年招聘启事
已经有0人回复
-
Comsol 6.0 桶内肥料产热产湿过程模拟求助
已经有1人回复
-
分子动力学 Plumed教程求助
已经有0人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- 跨专业考到药学院校，想自学药学基础的课程，应该怎么入手？
已经有13人回复
- 化学工程与工艺专业本科求职，想往电池方向发展，求建议
已经有11人回复
- 关于粉料+液体混合的一些问题请教
已经有9人回复
- 【求助】敢问运动的相对性对应的守恒量是什么呀
已经有5人回复
- 一篇关于角动量守恒实验改进的论文想投到国外，求助什么期刊能接受
已经有5人回复
- 【求助】请教关于时空sobolev空间这个概念
已经有3人回复
- 请教一下，有关统计图表的概念
已经有9人回复
 |
2楼2011-10-09 15:26:21