期刊
COORDINATION CHEMISTRY REVIEWS
卷 266, 期 -, 页码 110-122出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.ccr.2013.11.018
关键词
f-Elements; Actinide complexes; Molecular wavefunction analysis; Quantum chemical topology; Energy decomposition analysis; Bonding analysis
资金
- GENCI (Grand Equipement National de Calcul Intensif) [c2013086146]
The chemical bonding in actinide compounds is usually analyzed by inspecting the shape and the occupation of the orbitals or by calculating bond orders which are based on orbital overlap and occupation numbers. However, this may not give a definite answer because the choice of the partitioning method may strongly influence the result leading sometimes to qualitatively different answers. This review highlights that the joint and complementary tools such as charge, orbital, quantum chemical topology and energy decomposition analyses are very powerful to understand chemical bonding in the field of actinide chemistry. However, understanding the actinide-ligand bond is not straightforward and requires caution in the use of these methods. This review is illustrated through applications to newly discovered bent actinocene compounds and actinide endohedral clusters fulfilling a 32-electron rule. (C) 2013 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据