title: Chemical control of spin propagation between heterometallic rings.
abstract: We present a synthetic, structural, theoretical, and spectroscopic study of a family of heterometallic ring dimers which have the formula [{Cr(7)NiF(3)(Etglu)(O(2)CtBu)(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.
authors.affiliation: The Lewis Magnetism Laboratory, School of Chemistry and Photon Science Institute, University of Manchester, Oxford Road, Manchester, M13 9PL, UK.
authors.forename: Thomas B
authors.initials: TB
authors.lastname: Faust
authors.forename: Valerio
authors.initials: V
authors.lastname: Bellini
authors.forename: Andrea
authors.initials: A
authors.lastname: Candini
authors.forename: Stefano
authors.initials: S
authors.lastname: Carretta
authors.forename: Giulia
authors.initials: G
authors.lastname: Lorusso
authors.forename: David R
authors.initials: DR
authors.lastname: Allan
authors.forename: Laura
authors.initials: L
authors.lastname: Carthy
authors.forename: David
authors.initials: D
authors.lastname: Collison
authors.forename: Rebecca J
authors.initials: RJ
authors.lastname: Docherty
authors.forename: Jasbinder
authors.initials: J
authors.lastname: Kenyon
authors.forename: John
authors.initials: J
authors.lastname: Machin
authors.forename: Eric J L
authors.initials: EJ
authors.lastname: McInnes
authors.forename: Christopher A
authors.initials: CA
authors.lastname: Muryn
authors.forename: Harriott
authors.initials: H
authors.lastname: Nowell
authors.forename: Robin G
authors.initials: RG
authors.lastname: Pritchard
authors.forename: Simon J
authors.initials: SJ
authors.lastname: Teat
authors.forename: Grigore A
authors.initials: GA
authors.lastname: Timco
authors.forename: Floriana
authors.initials: F
authors.lastname: Tuna
authors.forename: George F S
authors.initials: GF
authors.lastname: Whitehead
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Wernsdorfer
authors.forename: Marco
authors.initials: M
authors.lastname: Affronte
authors.forename: Richard E P
authors.initials: RE
authors.lastname: Winpenny