Germylene-Fe complexes caused by heterometallic coupling and investigation into the 3d-4p bonding  

作　　者：Yingying Qin Yongmei Kang Lei Zhang Jianping Sun Zhijing Zhang Jialei Xu Fanlong Zeng Anyang Li Wenyuan Wang Weiqun Shi 

机构地区：[1]Key Laboratory of Synthetic and Natural Functional Molecule of Ministry of Education,College of Chemistry and Materials Science,Northwest University,Xi'an 710127,China [2]Laboratory of Nuclear Energy Chemistry,Institute of High Energy Physics,Chinese Academy of Sciences,Beijing 100049,China [3]Shaanxi Coal and Chemical Industry,Xi'an 710054,China

出　　处：《Chinese Chemical Letters》2024年第3期304-307,共4页中国化学快报（英文版）

基　　金：supported by National Science Foundation of China(No.22273072);the Shaanxi Provincial Enterprise Joint Fund(No.2021JLM-31);the Natural Science Basic Research Plan in Shaanxi Province of China(No.2021JM-311)。

摘　　要：The interpretation of heterometallic bonding nature is a basic work of inorganic chemistry.By means of intermetallic substitution of germylene anions with iron halide complexes CpFe(CO)_(2)I andβ-diketiminato Fe^Ⅱchloride,the ferrogermylene complexes 3a,3b and 4a were synthesized and structurally characterized.The structural and IR characterizations show the presence of the Ge←Feπbackbonding in molecules 3a,3b and 4a.The computational works on frontier molecular orbitals and their comparison of energy states confirmed thatσdonation andπbackbonding are both weak in these molecules,despite three complexes have longer Ge-Fe bonds,whose strength decreases slightly with the degressive electron density around Fe environment in a sequence from 3a,3b to 4a.

关 键 词：Metallic bonding GERMYLENE Iron Crystal structure σbond πbackbond 

分 类 号：O641.4[理学—物理化学]