Orientation selection in high-field RIDME and PELDOR experiments involving low-spin  CoII ions

Angeliki Giannoulis; Claire Louise Motion; Maria Oranges; Michael Buehl; Graham Murray Smith; Bela E. Bode

doi:10.1039/C7CP07248A

Orientation selection in high-field RIDME and PELDOR experiments involving low-spin Co^II ions

Angeliki Giannoulis, Claire Louise Motion, Maria Oranges, Michael Buehl, Graham Murray Smith, Bela E. Bode^*

^*Corresponding author for this work

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

Abstract

Orientation selective (OS) RIDME and PELDOR were conducted on a low-spin Co^II complex coordinated by two nitroxide (NO) labelled 2,2':6',2''-terpyridine ligands. Co-NO RIDME at W- and Q-band gave insight into the relative orientation between the Co-NO interspin vector (r_Co-NO) and the NO moiety. This was further supported by W-band Co-NO PELDOR that also allowed elucidating the relative orientation of the Co^II and NO g-tensors. Differences to earlier predictions were confirmed by DFT calculations. Finally, NO-NO PELDOR allowed retrieving the mutual orientations between the NO-NO interspin vector (r_NO-NO) and the NO moieties. The results demonstrate that OS-RIDME and -PELDOR can provide geometric and electronic structure information on a system containing a Co^II ion and two nitroxides. Especially, the high sensitivity and ease of interpretation of RIDME at W-band opens avenues for new applications of CoII as orthogonal spin label.

Original language	English
Pages (from-to)	2151-2154
Journal	Physical Chemistry Chemical Physics
Volume	20
Issue number	4
Early online date	5 Jan 2018
DOIs	https://doi.org/10.1039/C7CP07248A
Publication status	Published - 28 Jan 2018

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10.1039/C7CP07248A

Giannoulis-2018-Orientation-selection-PCCP-AAM
© 2018, the Author(s). This work has been made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1039/C7CP07248A
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Meeting the Sensitivity Grand Challenges: Meeting the sensitivity Grand Challenges in Pulsed Electron Magnetic Resonance
Smith, G. M. (PI), Bode, B. E. (CoI), Lovett, J. E. (CoI), Pliotas, C. (CoI), Robertson, D. (CoI) & Schwarz-Linek, U. (CoI)
EPSRC
1/12/17 → 30/11/20
Project: Standard
Oligo PELDOR: Oligo PELDOR
Bode, B. E. (PI)
European Commission
1/03/13 → 28/02/17
Project: Fellowship
State of the art pulse EPR instrumentati: State of the art pulse EPR instrumentation for long range distance measurements in biomacromolecules
Smith, G. M. (PI), Bode, B. E. (CoI), Naismith, J. (CoI), Schiemann, O. (CoI) & White, M. (CoI)
The Wellcome Trust
1/09/12 → 31/08/17
Project: Standard

Bela Ernest Bode
- beb2st-andrews.acuk
Person: Academic

Data Underpinning: Orientation selection in high-field RIDME and PELDOR experiments involving low-spin CoII ions
Giannoulis, A. (Creator), Motion, C. L. (Creator), Oranges, M. (Creator), Buehl, M. (Creator), Smith, G. M. (Creator) & Bode, B. E. (Creator), University of St Andrews, 5 Jan 2018
DOI: 10.17630/86c5f65b-8c14-429e-97c1-8f8901290995
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File

Cite this

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title = "Orientation selection in high-field RIDME and PELDOR experiments involving low-spin CoII ions",

abstract = "Orientation selective (OS) RIDME and PELDOR were conducted on a low-spin CoII complex coordinated by two nitroxide (NO) labelled 2,2':6',2''-terpyridine ligands. Co-NO RIDME at W- and Q-band gave insight into the relative orientation between the Co-NO interspin vector (rCo-NO) and the NO moiety. This was further supported by W-band Co-NO PELDOR that also allowed elucidating the relative orientation of the CoII and NO g-tensors. Differences to earlier predictions were confirmed by DFT calculations. Finally, NO-NO PELDOR allowed retrieving the mutual orientations between the NO-NO interspin vector (rNO-NO) and the NO moieties. The results demonstrate that OS-RIDME and -PELDOR can provide geometric and electronic structure information on a system containing a CoII ion and two nitroxides. Especially, the high sensitivity and ease of interpretation of RIDME at W-band opens avenues for new applications of CoII as orthogonal spin label.",

author = "Angeliki Giannoulis and Motion, {Claire Louise} and Maria Oranges and Michael Buehl and Smith, {Graham Murray} and Bode, {Bela E.}",

note = "AG and CLM were supported by postgraduate fellowships by the EPSRC-funded doctoral training centre {\textquoteleft}integrated magnetic resonance{\textquoteright}. This work was supported by the European Union Seventh Framework Programme (PCIG12-GA-2012-334496). The W-band instrument was developed under the U.K. Research Councils Basic Technology Program (grant EP/F039034/1) and the Q-band equipment is supported by the Wellcome Trust (099149/Z/12/Z).",

year = "2018",

month = jan,

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doi = "10.1039/C7CP07248A",

language = "English",

volume = "20",

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T1 - Orientation selection in high-field RIDME and PELDOR experiments involving low-spin CoII ions

AU - Giannoulis, Angeliki

AU - Motion, Claire Louise

AU - Oranges, Maria

AU - Buehl, Michael

AU - Smith, Graham Murray

AU - Bode, Bela E.

N1 - AG and CLM were supported by postgraduate fellowships by the EPSRC-funded doctoral training centre ‘integrated magnetic resonance’. This work was supported by the European Union Seventh Framework Programme (PCIG12-GA-2012-334496). The W-band instrument was developed under the U.K. Research Councils Basic Technology Program (grant EP/F039034/1) and the Q-band equipment is supported by the Wellcome Trust (099149/Z/12/Z).

PY - 2018/1/28

Y1 - 2018/1/28

N2 - Orientation selective (OS) RIDME and PELDOR were conducted on a low-spin CoII complex coordinated by two nitroxide (NO) labelled 2,2':6',2''-terpyridine ligands. Co-NO RIDME at W- and Q-band gave insight into the relative orientation between the Co-NO interspin vector (rCo-NO) and the NO moiety. This was further supported by W-band Co-NO PELDOR that also allowed elucidating the relative orientation of the CoII and NO g-tensors. Differences to earlier predictions were confirmed by DFT calculations. Finally, NO-NO PELDOR allowed retrieving the mutual orientations between the NO-NO interspin vector (rNO-NO) and the NO moieties. The results demonstrate that OS-RIDME and -PELDOR can provide geometric and electronic structure information on a system containing a CoII ion and two nitroxides. Especially, the high sensitivity and ease of interpretation of RIDME at W-band opens avenues for new applications of CoII as orthogonal spin label.

AB - Orientation selective (OS) RIDME and PELDOR were conducted on a low-spin CoII complex coordinated by two nitroxide (NO) labelled 2,2':6',2''-terpyridine ligands. Co-NO RIDME at W- and Q-band gave insight into the relative orientation between the Co-NO interspin vector (rCo-NO) and the NO moiety. This was further supported by W-band Co-NO PELDOR that also allowed elucidating the relative orientation of the CoII and NO g-tensors. Differences to earlier predictions were confirmed by DFT calculations. Finally, NO-NO PELDOR allowed retrieving the mutual orientations between the NO-NO interspin vector (rNO-NO) and the NO moieties. The results demonstrate that OS-RIDME and -PELDOR can provide geometric and electronic structure information on a system containing a CoII ion and two nitroxides. Especially, the high sensitivity and ease of interpretation of RIDME at W-band opens avenues for new applications of CoII as orthogonal spin label.

U2 - 10.1039/C7CP07248A

DO - 10.1039/C7CP07248A

M3 - Article

SN - 1463-9076

VL - 20

SP - 2151

EP - 2154

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 4

ER -

Orientation selection in high-field RIDME and PELDOR experiments involving low-spin CoII ions

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Projects

Meeting the Sensitivity Grand Challenges: Meeting the sensitivity Grand Challenges in Pulsed Electron Magnetic Resonance

Oligo PELDOR: Oligo PELDOR

State of the art pulse EPR instrumentati: State of the art pulse EPR instrumentation for long range distance measurements in biomacromolecules

Profiles

Bela Ernest Bode

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Data Underpinning: Orientation selection in high-field RIDME and PELDOR experiments involving low-spin CoII ions

Cite this

Orientation selection in high-field RIDME and PELDOR experiments involving low-spin Co^II ions