自旋电子学
量子纠缠
旋转
密度泛函理论
计算化学
化学物理
化学
芳香性
分子物理学
量子
物理
量子力学
结晶学
分子
凝聚态物理
铁磁性
作者
Thomas Faust,V. Bellini,Andrea Candini,S. Carretta,Giulia Lorusso,David R. Allan,Laura Carthy,David Collison,Rebecca J. Docherty,Jasbinder Kenyon,J. Machin,Eric J. L. McInnes,Christopher A. Muryn,Harriott Nowell,Robin G. Pritchard,Simon J. Teat,Grigore A. Timco,Floriana Tuna,George F. S. Whitehead,Wolfgang Wernsdorfer,Marco Affronte,Richard E. P. Winpenny
标识
DOI:10.1002/chem.201101785
摘要
We present a synthetic, structural, theoretical, and spectroscopic study of a family of heterometallic ring dimers which have the formula [{Cr7NiF3(Etglu)(O2CtBu)15}2(NLN)], in which Etglu is the pentadeprotonated form of the sugar N-ethyl-D-glucamine, and NLN is an aromatic bridging diimine ligand. By varying NLN we are able to adjust the strength of the interaction between rings with the aim of understanding how to tune our system to achieve weak magnetic communication between the spins, a prerequisite for quantum entanglement. Micro-SQUID and EPR data reveal that the magnetic coupling between rings is partly related to the through-bond distance between the spin centers, but also depends on spin-polarization mechanisms and torsion angles between aromatic rings. Density functional theory (DFT) calculations allow us to make predictions of how such chemically variable parameters could be used to tune very precisely the interaction in such systems. For possible applications in quantum information processing and molecular spintronics, such precise control is essential.
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