Issue 1, 2016

Theoretical evaluation of lanthanide binding tags as biomolecular handles for the organization of single ion magnets and spin qubits

Abstract

Lanthanoid complexes are amongst the most promising compounds both in single ion magnetism and as molecular spin qubits, but their organization remains an open problem. We propose to combine Lanthanide Binding Tags (LBTs) with recombinant proteins as a path for an extremely specific and spatially-resolved organisation of lanthanoid ions as spin qubits. We develop a new computational subroutine for the freely available code SIMPRE that allows an inexpensive estimate of quantum decoherence times and qubit–qubit interaction strengths. We use this subroutine to evaluate our proposal theoretically for 63 different systems. We evaluate their behavior as single ion magnets and estimate both decoherence caused by the nuclear spin bath and the interqubit interaction strength by dipolar coupling. We conclude that Dy3+ LBT complexes are expected to behave as SIMs, but Yb3+ derivatives should be better spin qubits.

Graphical abstract: Theoretical evaluation of lanthanide binding tags as biomolecular handles for the organization of single ion magnets and spin qubits

Supplementary files

Article information

Article type
Research Article
Submitted
22 ⵢⵓⵍ 2015
Accepted
17 ⴽⵜⵓ 2015
First published
20 ⴽⵜⵓ 2015

Inorg. Chem. Front., 2016,3, 61-66

Author version available

Theoretical evaluation of lanthanide binding tags as biomolecular handles for the organization of single ion magnets and spin qubits

L. E. Rosaleny and A. Gaita-Ariño, Inorg. Chem. Front., 2016, 3, 61 DOI: 10.1039/C5QI00127G

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