| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1327057 | Journal of Organometallic Chemistry | 2006 | 7 Pages |
Abstract
Density functional theory PBE0 method was applied to study the Ru-M interactions and their effects on 31P NMR in complexes [Ru(CO)3(Ph2Ppy)2MCl2] (MÂ =Â Zn; Cd; Hg). The 31P chemical shifts of complexes were calculated by PBE0-GIAO method. Meanwhile, the stabilities of binuclear complexes were discussed by binding energies.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
![Quantum chemistry studies on the Ru-M interactions and the 31P NMR in [Ru(CO)3(Ph2Ppy)2(MCl2)] (MÂ =Â Zn, Cd, Hg)](/preview/png/1327057.png "First Page Preview: Quantum chemistry studies on the Ru-M interactions and the 31P NMR in [Ru(CO)3(Ph2Ppy)2(MCl2)] (MÂ =Â Zn, Cd, Hg)")
Authors
Xuan Xu, Liang Fang, Zhao-Xing Chen, Guo-Chun Yang, Shi-Ling Sun, Zhong-Min Su,