Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N-Heterocyclic Carbenes
详细信息 查看全文
- 作者：Rebecca C. Poulten ; Michael J. Page ; Andr茅s G. Algarra ; Jennifer J. Le Roy ; Isidoro L贸pez ; Emma Carter ; Antoni Llobet ; Stuart A. Macgregor ; Mary F. Mahon ; Damien M. Murphy ; Muralee Murugesu ; Michael K. Whittlesey
- 刊名：Journal of the American Chemical Society
- 出版年：2013
- 出版时间：September 18, 2013
- 年：2013
- 卷：135
- 期：37
- 页码：13640-13643
- 全文大小：279K
- 年卷期：v.135,no.37(September 18, 2013)
- ISSN：1520-5126
文摘
The two-coordinate cationic Ni(I) bis-N-heterocyclic carbene complex [Ni(6-Mes)2]Br (1) [6-Mes =1,3-bis(2,4,6-trimethylphenyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene] has been structurally characterized and displays a highly linear geometry with a C鈥揘i鈥揅 angle of 179.27(13)掳. Density functional theory calculations revealed that the five occupied metal-based orbitals are split in an approximate 2:1:2 pattern. Significant magnetic anisotropy results from this orbital degeneracy, leading to single-ion magnet (SIM) behavior.