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

DOI: 10.1039/D1DT00150G DOI Help

Authors: Deepak Asthana (The University of Manchester) , Selena J. Lockyer (The University of Manchester) , Selina Nawaz (The University of Manchester) , Robert J. Woolfson (The University of Manchester) , Grigore A. Timco (The University of Manchester) , Christopher A. Muryn (University of Manchester) , IƱigo J. Vitorica-Yrezabal (The University of Manchester) , David Collison (The University of Manchester) , Neil A. Burton (The University of Manchester) , Richard E. P. Winpenny (The University of Manchester)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Dalton Transactions , VOL 42

State: Published (Approved)
Published: March 2021
Diamond Proposal Number(s): 23480

Open Access Open Access

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 Tm) 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.

Subject Areas: Materials, Chemistry

Instruments: I19-Small Molecule Single Crystal Diffraction

Added On: 16/03/2021 17:38


Discipline Tags:

Physical Chemistry Chemistry

Technical Tags:

Diffraction Single Crystal X-ray Diffraction (SXRD)