Department of Chemistry, University of Guelph, Guelph, ON N1G 2W1, Canada.
Chem Commun (Camb). 2013 Oct 21;49(82):9431-3. doi: 10.1039/c3cc45605f.
The coordination complex of Ni(hfac)2 (hfac = 1,1,1,5,5,5-hexafluoroacetylacetonato) and the 4-(benzoxazol-2'-yl)-1,2,3,5-dithiadiazolyl (boaDTDA) neutral radical π-stacks in a one-dimensional "staircase" arrangement. This particular packing aligns regions of α and β spin densities on neighbouring Ni(II)(hfac)2(boaDTDA) molecules. This complex exemplifies a McConnell I type mechanism, giving rise to intermolecular ferromagnetic exchange observed for the first time between metal-thiazyl complexes.
镍(hfac)2（hfac=1,1,1,5,5,5-六氟乙酰丙酮）与4-（苯并恶唑-2-基）-1,2,3,5-二噻唑基（boaDTDA）中性自由基π-堆积的配位复合物以一维“楼梯”排列。这种特殊的堆积方式使相邻 Ni(II)(hfac)2(boaDTDA)分子上的α和β自旋密度区域对齐。该配合物例证了 McConnell I 型机制，导致金属-噻唑基配合物之间首次观察到分子间铁磁交换。
