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

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^*

^*Corresponding author for this work

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

Abstract

Gold(i) bridged dimeric and trimeric structures of a ground state spinS= 1/2 heterometallic {Cr₇Ni} wheel have been prepared and studied by continuous wave (CW) and pulsed wave EPR spectrometry. The {Cr₇Ni} relaxation time constants (T₁andT_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.

Original language	English
Pages (from-to)	4390-4395
Number of pages	6
Journal	Dalton Transactions
Volume	50
Issue number	12
DOIs	https://doi.org/10.1039/d1dt00150g
Publication status	Published - 28 Mar 2021

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10.1039/d1dt00150g

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@article{3a4c7b8e9215426e9173f36bad9c9584,

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

abstract = "Gold(i) bridged dimeric and trimeric structures of a ground state spinS= 1/2 heterometallic {Cr7Ni} wheel have been prepared and studied by continuous wave (CW) and pulsed wave EPR spectrometry. The {Cr7Ni} relaxation time constants (T1andTm) 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.",

author = "Deepak Asthana and Lockyer, {Selena J.} and Selina Nawaz and Woolfson, {Robert J.} and Timco, {Grigore A.} and Muryn, {Christopher A.} and Vitorica-Yrezabal, {I{\~n}igo J.} and David Collison and Burton, {Neil A.} and Winpenny, {Richard E.P.}",

note = "Funding Information: This work was supported by the EPSRC (grant EP/P000444/1). We also acknowledge the EPSRC National EPR Facility and Service (EP/NS/A000055/1). We also thank EPSRC (UK) for funding an X-ray diffractometer (EP/K039547/1). This work was supported by an EPSRC Established Career Fellowship (EP/ R011079/1) to REPW, We also thank the European Research Council for an Advanced Grant (ERC-2017-ADG-786734). We thank Diamond Light Source for access to synchrotron X-ray facilities. RJW acknowledges a studentship from Centre for Doctoral Training North-West Nanoscience Doctoral Training Centre, NOWNANO (EPSRC grant EP/G03737X/1). Funding Information: This work was supported by the EPSRC (grant EP/P000444/1). We also acknowledge the EPSRC National EPR Facility and Service (EP/NS/A000055/1). We also thank EPSRC (UK) for funding an X-ray diffractometer (EP/K039547/1). This work was supported by an EPSRC Established Career Fellowship (EP/R011079/1) to REPW, We also thank the European Research Council for an Advanced Grant (ERC-2017-ADG-786734). We thank Diamond Light Source for access to synchrotron X-ray facilities. RJW acknowledges a studentship from Centre for Doctoral Training North-West Nanoscience Doctoral Training Centre, NOWNANO (EPSRC grant EP/G03737X/1). Publisher Copyright: {\textcopyright} The Royal Society of Chemistry 2021.",

year = "2021",

month = mar,

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doi = "10.1039/d1dt00150g",

language = "English",

volume = "50",

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journal = "Dalton Transactions",

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T1 - Gold(i) bridged dimeric and trimeric heterometallic {Cr7Ni}-based qubit systems and their characterization

AU - Asthana, Deepak

AU - Lockyer, Selena J.

AU - Nawaz, Selina

AU - Woolfson, Robert J.

AU - Timco, Grigore A.

AU - Muryn, Christopher A.

AU - Vitorica-Yrezabal, Iñigo J.

AU - Collison, David

AU - Burton, Neil A.

AU - Winpenny, Richard E.P.

N1 - Funding Information: This work was supported by the EPSRC (grant EP/P000444/1). We also acknowledge the EPSRC National EPR Facility and Service (EP/NS/A000055/1). We also thank EPSRC (UK) for funding an X-ray diffractometer (EP/K039547/1). This work was supported by an EPSRC Established Career Fellowship (EP/ R011079/1) to REPW, We also thank the European Research Council for an Advanced Grant (ERC-2017-ADG-786734). We thank Diamond Light Source for access to synchrotron X-ray facilities. RJW acknowledges a studentship from Centre for Doctoral Training North-West Nanoscience Doctoral Training Centre, NOWNANO (EPSRC grant EP/G03737X/1). Funding Information: This work was supported by the EPSRC (grant EP/P000444/1). We also acknowledge the EPSRC National EPR Facility and Service (EP/NS/A000055/1). We also thank EPSRC (UK) for funding an X-ray diffractometer (EP/K039547/1). This work was supported by an EPSRC Established Career Fellowship (EP/R011079/1) to REPW, We also thank the European Research Council for an Advanced Grant (ERC-2017-ADG-786734). We thank Diamond Light Source for access to synchrotron X-ray facilities. RJW acknowledges a studentship from Centre for Doctoral Training North-West Nanoscience Doctoral Training Centre, NOWNANO (EPSRC grant EP/G03737X/1). Publisher Copyright: © The Royal Society of Chemistry 2021.

PY - 2021/3/28

Y1 - 2021/3/28

N2 - Gold(i) bridged dimeric and trimeric structures of a ground state spinS= 1/2 heterometallic {Cr7Ni} wheel have been prepared and studied by continuous wave (CW) and pulsed wave EPR spectrometry. The {Cr7Ni} relaxation time constants (T1andTm) 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.

AB - Gold(i) bridged dimeric and trimeric structures of a ground state spinS= 1/2 heterometallic {Cr7Ni} wheel have been prepared and studied by continuous wave (CW) and pulsed wave EPR spectrometry. The {Cr7Ni} relaxation time constants (T1andTm) 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.

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U2 - 10.1039/d1dt00150g

DO - 10.1039/d1dt00150g

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EP - 4395

JO - Dalton Transactions

JF - Dalton Transactions

IS - 12

ER -

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

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

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