在固体中分离的SiH2和二桥式Si2的远紫外线吸收光谱
Shu-Yu Lin1, Sheng-Lung Chou2, Chien-Ming Tseng1
1Department of Applied Chemistry and Institute of Molecular Science, National Yang Ming Chiao Tung University, Hsinchu 300093, Taiwan.
在矩阵中对西兰的电子轰炸产生水化物. 随后的紫外线照射分解了SiH2和二桥式Si2H2,通过红外光谱和紫外线吸收光谱识别出来.
科学领域:
- 材料科学 材料科学 材料科学
- 频谱学是一种光谱学.
- 量子化学 是一个量子化学.
背景情况:
- 化在半导体制造和材料科学中至关重要.
- 了解它们的光解行为是控制它们的特性和应用的关键.
研究的目的:
- 在固体矩阵中生成和表征化物 (SiH2和二桥式Si2H2).
- 通过使用紫外线照射来研究这些物种的光解分解途径.
- 将观察到的紫外线吸收频段分配给特定的电子过渡.
主要方法:
- 在 (Ar) 矩阵中对西兰 (SiH4) 进行电子轰炸.
- 红外 (IR) 光谱仪用于识别化.
- 紫外线 (UV) 吸收光谱法用于监测光解.
- 时间依赖密度函数理论 (TD-DFT) 和运动方程合集群 (EOM-CC) 理论用于理论计算.
主要成果:
- SiH2和二桥式Si2H2在固体Ar中成功生成和识别.
- 在365nm的紫外线照射导致SiH2的分解,并使Si2H2.2.
- 对SiH2.2的C1B2 ← X1A1过渡进行了强烈的紫外线波段 (170-203nm) 的分配.
- 对31B2 ← X1A1过渡的二桥式Si2H2.2,分配了一种中等紫外线波段 (217-236nm).
结论:
- 这项研究成功地描述了化及其在固体中的光分解性行为.
- 通过实验光解和理论计算,证实了SiH2和二桥式Si2H2的电子过渡赋值.
- 这项研究为化的光谱学和反应性提供了基本的见解.
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