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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Meeting the Sensitivity Grand Challenges: Meeting the sensitivity Grand Challenges in Pulsed Electron Magnetic Resonance
Smith, G. (PI), Bode, B. (CoI), Lovett, J. (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. (PI)
Joint Research Centre 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. (PI), Bode, B. (CoI), Naismith, J. (CoI), Schiemann, O. (CoI) & White, M. (CoI)
The Wellcome Trust
1/09/12 → 31/08/17
Project: Standard

Bela 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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Improving the sensitivity and utility of pulsed dipolar experiments in EPR at 94 GHz
Motion, C. L. (Author), Smith, G. (Supervisor), 27 Jun 2018
Student thesis: Doctoral Thesis (PhD)

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).",

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doi = "10.1039/C7CP07248A",

language = "English",

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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

Abstract

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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 Bode

Datasets

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

Student theses

Improving the sensitivity and utility of pulsed dipolar experiments in EPR at 94 GHz

Cite this

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