Enhanced coherence by coupling spins through a delocalized π-system: vanadyl porphyrin dimers

Accepted/In Press date: 18 September 2023

e-pub ahead of print date: 11 October 2023

Published date: 11 January 2024

Additional Information: Funding Information: we thank the EPSRC (grant nos. EP/R029229/1 and EP/R042594/1 ), the Royal Society (URF and grant), the European Union ( ERC-CoG-773048-MMGNR and ERC-ADG 885606 ARO-MAT ), and the Margarita Salas Postdoctoral Fellowship (Next Generation EU, Gobierno de España – Ministerio de Universidades ) for financial support. We thank the EPSRC UK National Crystallography Service at the University of Southampton for the collection of crystallographic data. Funding Information: we thank the EPSRC (grant nos. EP/R029229/1 and EP/R042594/1), the Royal Society (URF and grant), the European Union (ERC-CoG-773048-MMGNR and ERC-ADG 885606 ARO-MAT), and the Margarita Salas Postdoctoral Fellowship (Next Generation EU, Gobierno de España – Ministerio de Universidades) for financial support. We thank the EPSRC UK National Crystallography Service at the University of Southampton for the collection of crystallographic data. I.P. L.B. and H.L.A. conceived the project. Z.H. F.L. and M.S. carried out the X-band and Q-band EPR measurements, analysis, and simulations. I.T. and M.B. carried out the J-band EPR measurements. I.T. I.P. L.B. W.K.M. and Z.H. carried out the J-band EPR analysis and simulations. W.K.M. provided assistance and support with the EPR experiments. I.P. and J.-R.D. conducted the synthesis and chemical characterization. I.P. and F.K. performed the theoretical calculations. D.I.A. carried out SQUID magnetometry. W.S. P.N.H. and S.J.C. performed X-ray crystallography. I.P. L.B. and H.L.A. coordinated and supervised the project. All authors contributed to the manuscript. The authors declare no competing interests. We support inclusive, diverse, and equitable conduct of research.

Keywords: electron pair flip-flop, electron paramagnetic resonance, exchange coupling, magnetism, molecular electronics, pi-conjugation, quantum coherence, SDG9: Industry, innovation, and infrastructure, spin, vanadyl porphyrins

Local EPrints ID: 486018

URI: http://eprints.soton.ac.uk/id/eprint/486018

DOI: doi:10.1016/j.chempr.2023.09.013

ISSN: 2451-9308

PURE UUID: d58e4c8d-e785-4223-bff7-37a3d5935f11

ORCID for Peter N. Horton: orcid.org/0000-0001-8886-2016

ORCID for Simon J. Coles: orcid.org/0000-0001-8414-9272

Date deposited: 05 Jan 2024 17:54

Last modified: 06 Jun 2024 01:38