Spin transmission through cyano ligands

在新型分子基磁性材料中，金属氰化物M(II)_3[M(III)(CN)_6]_2最具吸引力。已经实现了室温磁体、光磁开关和自旋团簇，但对这些化合物中未成对电子的离域化知之甚少。由于这对于理解磁相互作用很重要，本项目旨在通过使用溶液和固体核磁共振光谱来确定氰化物中的自旋密度。该项目将包括同位素浓缩化合物的合成。重点将放在顺磁13C、15N和1H魔角旋转的核磁共振谱上。核磁共振数据将被转换成自旋密度，这有望成为铁磁和反铁磁相互作用的信号。

Among new molecule-based magnetic materials cyanometalates of the type M(II)3[M(III)(CN)6]2 are most attractive. Room-temperature magnets, photomagnetic switching, and spin clusters have been realized, but very little is known about the delocalization of the unpaired electrons within these compounds. Since this is important for the understanding of the magnetic interaction, the present project aims at the determination of spin densities in cyanometalates by using solution and solid-state NMR spectroscopy. The project will include the syntheses of isotopically enriched compounds. Emphasis will be laid on paramagnetic 13C, 15N, and 1H magic angle spinning NMR spectra. The NMR data will be converted into spin densities which are expected to be signatures of ferro- and antiferromagnetic interactions.