Charge density studies used to reveal the fine details of atomic electron density, bonds and weak interatomic interactions. The use of this to develop new compounds/applications.

电荷密度研究用于揭示原子电子密度、键和弱原子间相互作用的细节。

• 批准号: 516-2008
• 负责人: Cameron, Stanley
• 金额: $ 1.89万
• 依托单位: Dalhousie University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2011
• 资助国家: 加拿大
• 起止时间: 2011-01-01 至 2012-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=473341
• 关键词: Charge; density; studies; used; reveal

When a fine beam of X-rays is directed at a crystal, the X-rays are reflected only at specific angles. The intensity of the reflected beam at each of these angles vary and the intensity depends on the arrangement of the atoms in the crystal. It is possible to work out the arrangement of all the atoms within a crystal from a consideration of all the intensities of the reflected X-rays. The X-rays are actually reflected by the electrons around each of the atoms. Most of the electrons are held in a tight cloud close to the centre of the atom (the core electrons), but a few electrons, further away from the atom centre interact with the electron clouds of adjacent atoms. This interaction creates the attraction which holds the atoms together in a molecule.

当将X射线的细光束定向晶体时，X射线仅以特定的角度反射。这些角度的反射光束的强度各不相同，强度取决于原子在晶体中的排列。从考虑反射X射线的所有强度的考虑因素，可以从晶体中弄清所有原子的排列。 X射线实际上是由每个原子周围的电子反映的。大多数电子都保持在靠近原子中心（核心电子）的紧密云中，但是远离原子中心的几个电子与相邻原子的电子云相互作用。这种相互作用产生了将原子凝聚在一起的吸引力。