摘要
镧系和锕系化合物成键共价性,即f轨道和d轨道参与成键行为,是f区元素化学领域的研究热点。X射线吸收谱是目前研究化合物成键共价性最直接、最有效的方法。本文概述了以配体K边X射线吸收谱的方法研究镧系和锕系化合物成键共价性的理论背景,介绍了此方法与密度泛函理论两者结合在镧系、锕系配合物成键共价性研究中的应用,并对其前景进行了展望。
Covalency in lanthanide and actinide compounds,i.e.,role of f-and d-orbitals in chemical bonding,continues to be at the forefront of research in the chemical science.X-ray absorption spectroscopy has emerged as an effective and direct method to quantitively evaluate the covalency in chemical bonding.In this review paper,the theoretical background was briefly introduced for X-ray absorption spectroscopy and density functional theory.The application of X-ray absorption spectroscopy and density functional theory in the investigation of the covalency in lanthanide and actinide compounds was summarized.Finally,the prospect was discussed.
作者
张宇生
孙涛祥
ZHANG Yu-sheng;SUN Tao-xiang(Institute of Nuclear and New Energy Technology,Tsinghua University,Beijing 100084,China)
出处
《核化学与放射化学》
CAS
CSCD
北大核心
2021年第2期109-121,I0001,共14页
Journal of Nuclear and Radiochemistry
