Measurement of the Quantum Tunnelling Gap in a Dysprosocenium Single-Molecule Magnet

William J. A. Blackmore; Andrea Mattioni; Sophie C. Corner; Peter Evans; Gemma K. Gransbury; David P. Mills; Nicholas F. Chilton

doi:10.1021/acs.jpclett.3c00034

Measurement of the Quantum Tunnelling Gap in a Dysprosocenium Single-Molecule Magnet

William J. A. Blackmore, Andrea Mattioni, Sophie C. Corner, Peter Evans, Gemma K. Gransbury, David P. Mills, Nicholas F. Chilton

Research output: Contribution to journal › Article › peer-review

Abstract

We perform magnetisation sweeps on the high-performing single-molecule magnet
[Dy(Cpttt)2][B(C6F5)4] (Cpttt = C5H t
2 Bu3-1,2,4; tBu = C(CH3)3) to determine the
quantum tunnelling gap of the ground-state avoided crossing at zero-field, finding a
value on the order of 10−7 cm−1. In addition to the pure crystalline material, we also
measure the tunnel splitting of [Dy(Cpttt)2][B(C6F5)4] dissolved in dichloromethane
(DCM) and 1,2-difluorobenzene (DFB). We find that concentrations of 200 or 100 mM
[Dy(Cpttt)2][B(C6F5)4] in these solvents increases the size of the tunnelling gap compared
to the pure sample, despite a similarity in the strength of the dipolar fields,
indicating that either a structural or vibrational change due to the environment increases
quantum tunnelling rates.

Original language	English
Journal	Journal of Physical Chemistry Letters
DOIs	https://doi.org/10.1021/acs.jpclett.3c00034
Publication status	Published - 22 Feb 2023

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10.1021/acs.jpclett.3c00034

Research data for "Measurement of the quantum tunnelling gap in a dysprosocenium single-molecule magnet"
Chilton, N. (Creator), University of Manchester Figshare, 5 Jan 2023
DOI: 10.48420/21740855.v1, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Measurement_of_the_quantum_tunnelling_gap_in_a_dysprosocenium_single-molecule_magnet_/21740855/1
Dataset

EPSRC National Research Facility for Electron Paramagnetic Resonance
Collison, D. (Academic lead), Mcinnes, E. (Academic lead), Tuna, F. (Academic lead), Bowen, A. (Academic lead), Shanmugam, M. (Senior Technical Specialist), Brookfield, A. (Technical Specialist), Fleming, E. (Other) & Cliff, M. (Platform Lead)
FSE Research
Facility/equipment: Facility

Cite this

@article{b9336eaf4fe54049bf8ce6f8a3a848f9,

title = "Measurement of the Quantum Tunnelling Gap in a Dysprosocenium Single-Molecule Magnet",

abstract = "We perform magnetisation sweeps on the high-performing single-molecule magnet[Dy(Cpttt)2][B(C6F5)4] (Cpttt = C5H t2 Bu3-1,2,4; tBu = C(CH3)3) to determine thequantum tunnelling gap of the ground-state avoided crossing at zero-field, finding avalue on the order of 10−7 cm−1. In addition to the pure crystalline material, we alsomeasure the tunnel splitting of [Dy(Cpttt)2][B(C6F5)4] dissolved in dichloromethane(DCM) and 1,2-difluorobenzene (DFB). We find that concentrations of 200 or 100 mM[Dy(Cpttt)2][B(C6F5)4] in these solvents increases the size of the tunnelling gap comparedto the pure sample, despite a similarity in the strength of the dipolar fields,indicating that either a structural or vibrational change due to the environment increasesquantum tunnelling rates.",

author = "Blackmore, {William J. A.} and Andrea Mattioni and Corner, {Sophie C.} and Peter Evans and Gransbury, {Gemma K.} and Mills, {David P.} and Chilton, {Nicholas F.}",

year = "2023",

month = feb,

day = "22",

doi = "10.1021/acs.jpclett.3c00034",

language = "English",

journal = "Journal of Physical Chemistry Letters",

issn = "1948-7185",

publisher = "American Chemical Society",

}

TY - JOUR

T1 - Measurement of the Quantum Tunnelling Gap in a Dysprosocenium Single-Molecule Magnet

AU - Blackmore, William J. A.

AU - Mattioni, Andrea

AU - Corner, Sophie C.

AU - Evans, Peter

AU - Gransbury, Gemma K.

AU - Mills, David P.

AU - Chilton, Nicholas F.

PY - 2023/2/22

Y1 - 2023/2/22

N2 - We perform magnetisation sweeps on the high-performing single-molecule magnet[Dy(Cpttt)2][B(C6F5)4] (Cpttt = C5H t2 Bu3-1,2,4; tBu = C(CH3)3) to determine thequantum tunnelling gap of the ground-state avoided crossing at zero-field, finding avalue on the order of 10−7 cm−1. In addition to the pure crystalline material, we alsomeasure the tunnel splitting of [Dy(Cpttt)2][B(C6F5)4] dissolved in dichloromethane(DCM) and 1,2-difluorobenzene (DFB). We find that concentrations of 200 or 100 mM[Dy(Cpttt)2][B(C6F5)4] in these solvents increases the size of the tunnelling gap comparedto the pure sample, despite a similarity in the strength of the dipolar fields,indicating that either a structural or vibrational change due to the environment increasesquantum tunnelling rates.

AB - We perform magnetisation sweeps on the high-performing single-molecule magnet[Dy(Cpttt)2][B(C6F5)4] (Cpttt = C5H t2 Bu3-1,2,4; tBu = C(CH3)3) to determine thequantum tunnelling gap of the ground-state avoided crossing at zero-field, finding avalue on the order of 10−7 cm−1. In addition to the pure crystalline material, we alsomeasure the tunnel splitting of [Dy(Cpttt)2][B(C6F5)4] dissolved in dichloromethane(DCM) and 1,2-difluorobenzene (DFB). We find that concentrations of 200 or 100 mM[Dy(Cpttt)2][B(C6F5)4] in these solvents increases the size of the tunnelling gap comparedto the pure sample, despite a similarity in the strength of the dipolar fields,indicating that either a structural or vibrational change due to the environment increasesquantum tunnelling rates.

U2 - 10.1021/acs.jpclett.3c00034

DO - 10.1021/acs.jpclett.3c00034

M3 - Article

SN - 1948-7185

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

ER -

Measurement of the Quantum Tunnelling Gap in a Dysprosocenium Single-Molecule Magnet

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Equipment

EPSRC National Research Facility for Electron Paramagnetic Resonance

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