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用于确定具有小原子数的化学元素结合原子的电子负性的方法
Igor F Mikhailov1, Anton I Mikhailov1
1National Technical University "Kharkiv Polytechnic Institute", 2, Kyrpychova str., 61002 Kharkiv, Ukraine.
The Review of scientific instruments
|October 20, 2023
概括
这项研究对结合原子的X射线散射分析进行了概括,使得可以使用IR/IC散射比来确定有效的核电荷 (Z*) 和元素Z<10的电子阴性.
科学领域:
- 原子物理 原子物理
- 固态化学 固态化学
- 射线光谱 X射线光谱
背景情况:
- 经典的詹姆斯和布林德利方法通过X射线散射中的原子形状因子来确定核屏蔽.
- 推广这种方法对于理解绑定原子状态中的电子相互作用至关重要.
研究的目的:
- 概括经典方法来确定核屏蔽在绑定原子.
- 从X射线散射数据中建立计算有效核电荷 (Z*) 和电子负性的方法.
主要方法:
- 关于绑定原子的詹姆斯和布林德利方法的概括.
- 分析连贯 (IR) 与不连贯 (IC) 的X射线散射峰值的比率.
- 将IR/IC散射依赖性与 (sin θ) /λ相匹配,以确定Z*.
主要成果:
- 连贯和不连贯的散射峰的比率是由Z < 10的内部电子形态因子决定的.
- 一个单一的可调节参数,有效电荷 (Z*),是核屏蔽的特征.
- 在各种化学键中计算和分析了Li,B,C,O和F的电子阴性值.
结论:
- 一般化方法准确地确定有效的核电荷 (Z*) 和结合原子的电子负性.
- 这种方法为电子结构和化学结合提供了洞察力.
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