title: Synthesis, electronic structure, and magnetism of [Ni(6-Mes)2]+: a two-coordinate nickel(I) complex stabilized by bulky N-heterocyclic carbenes.
abstract: 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-Ni-C angle of 179.27(13)°. 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.
authors: Department of Chemistry, University of Bath , Bath BA2 7AY, U.K.
authors: Rebecca C
authors: RC
authors: Poulten
authors: Michael J
authors: MJ
authors: Page
authors: Andrés G
authors: AG
authors: Algarra
authors: Jennifer J
authors: JJ
authors: Le Roy
authors: Isidoro
authors: I
authors: López
authors: Emma
authors: E
authors: Carter
authors: Antoni
authors: A
authors: Llobet
authors: Stuart A
authors: SA
authors: Macgregor
authors: Mary F
authors: MF
authors: Mahon
authors: Damien M
authors: DM
authors: Murphy
authors: Muralee
authors: M
authors: Murugesu
authors: Michael K
authors: MK
authors: Whittlesey