Institut für Anorganische Chemie, Universität Bremen, Leobener Straße 7, 28359 Bremen, Germany.
Dalton Trans. 2019 Apr 2;48(14):4504-4513. doi: 10.1039/c9dt00088g.
The synthesis and structures of the di- and triorgano antimony compounds (6-Ph2P-Ace-5-)2SbCl (1) and (6-Ph2P-Ace-5-)3Sb (2) are presented along with their use as coordination non-innocent ligands for transition metals, leading to the complexes Cl(6-Ph2P-Ace-5-)2SbCuCl (3), Cl2(6-Ph2P-Ace-5-)2SbPdCl (4), Cl2(6-Ph2P-Ace-5-)2SbPtCl (5) and Cl(6-Ph2P-Ace-5-)3SbRhCl (6). The electronic structures of 1-6 were investigated by DFT computations using a set of topological and surface-based real-space bonding indicators derived from the Atoms-In-Molecules (AIM), Non-Covalent interactions Index (NCI), and Electron Localizability Indicator (ELI-D) methods, unravelling a dative Sb-Cu bond character in 3 and polar-covalent Sb-Pd/Pt/Rh interactions in 4-6.
呈现了二价和三价有机锑化合物 (6-Ph2P-Ace-5-)2SbCl（1）和 (6-Ph2P-Ace-5-)3Sb（2）的合成和结构，以及它们作为过渡金属配位非配位配体的用途，得到了配合物 Cl(6-Ph2P-Ace-5-)2SbCuCl（3）、Cl2(6-Ph2P-Ace-5-)2SbPdCl（4）、Cl2(6-Ph2P-Ace-5-)2SbPtCl（5）和 Cl(6-Ph2P-Ace-5-)3SbRhCl（6）。使用一组源自原子在分子（AIM）、非共价相互作用指数（NCI）和电子定域化指标（ELI-D）方法的拓扑和基于表面的真实空间键合指标，通过 DFT 计算研究了 1-6 的电子结构，揭示了 3 中存在的 Sb-Cu 键合特征和 4-6 中存在的 Sb-Pd/Pt/Rh 极性共价相互作用。
