三环环二伊特 (YbCp3) 的4f外中的共价性 - - 一种光谱评价
Robert G Denning1, Jeffrey Harmer, Jennifer C Green
1Department of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QR, United Kingdom. Bob.Denning@chem.ox.ac.uk
在三环二烯 (YbCp(3) 中存在显著的共价性,由电荷转移配置证明. 这一发现影响了对其电子基本状态和磁性特性的理解.
科学领域:
- 有机金属化学 有机金属化学
- 无机化学 无机化学
- 量子化学 是一个量子化学.
背景情况:
- 三-cyclopentadienyl ytterbium (YbCp(3)) 具有复杂的电子性质.
- 了解电子基本状态对于预测化学行为至关重要.
研究的目的:
- 为了研究 YbCp 的 4f 外中显著的共价性.
- 量化离子和电荷转移配置对基本状态的贡献.
主要方法:
- 脉冲电子偏磁共振 (EPR) HYSCORE光谱学 脉冲电子偏磁共振 (EPR) HYSCORE光谱学.
- 对4f光电离体横截面的分析.
- 测量了 (171) Yb 超细相互作用和 g-tensor 值.
主要成果:
- 在Yb 4f外中确定了显著的共价性,从电荷转移中获得12-17%的自旋密度.
- 配置相互作用 (CI) 解释了异常光学光谱和磁性易感性对库里定律的坚持.
结论:
- YbCp ((3) 的电子基本状态是离子和电荷转移配置的叠加.
- 协同性显著影响YbCp的光谱和磁性属性.
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