Gold(i) bridged dimeric and trimeric heterometallic {Cr7Ni}-based qubit systems and their characterization

Deepak Asthana; Selena J Lockyer; Selina Nawaz; Robert J Woolfson; Grigore A Timco; Christopher A Muryn; Iñigo J Vitorica-Yrezabal; David Collison; Neil A Burton; Richard E P Winpenny

doi:10.1039/d1dt00150g

Gold(i) bridged dimeric and trimeric heterometallic {Cr₇Ni}-based qubit systems and their characterization

Dalton Trans. 2021 Mar 28;50(12):4390-4395. doi: 10.1039/d1dt00150g. Epub 2021 Mar 11.

Authors

Deepak Asthana¹, Selena J Lockyer, Selina Nawaz, Robert J Woolfson, Grigore A Timco, Christopher A Muryn, Iñigo J Vitorica-Yrezabal, David Collison, Neil A Burton, Richard E P Winpenny

Affiliation

¹ The University of Manchester, Oxford Road, Manchester, M13 9PL, UK. richard.winpenny@manchester.ac.uk.

PMID: 33704335
DOI: 10.1039/d1dt00150g

Abstract

Gold(i) bridged dimeric and trimeric structures of a ground state spin S = 1/2 heterometallic {Cr₇Ni} wheel have been prepared and studied by continuous wave (CW) and pulsed wave EPR spectrometry. The {Cr₇Ni} relaxation time constants (T₁ and T_m) show rates matching well with previous observations. Four pulse Double Electron Resonance (DEER) studies suggest presence of more than one conformations. Small Angle X-ray Scattering (SAXS) in conjunction with Molecular Dynamic (MD) Simulations were performed to look at the possible conformations in solution. In line with DEER results, simulation data further indicated more flexible molecular geometry in solution than the one in solid state.