Ferro- and antiferromagnetic exchange coupling constants in PELDOR spectra

D Margraf; P. Cekan; T.F. Prisner; S.Th. Sigurdsson*; Olav Schiemann

doi:10.1039/b905524j

Ferro- and antiferromagnetic exchange coupling constants in PELDOR spectra

D Margraf, P. Cekan, T.F. Prisner, S.Th. Sigurdsson*, Olav Schiemann

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

Abstract

Pulsed electron electron double resonance (PELDOR) is a well-established method for measuring nanometer distances between paramagnetic centres. Here, we demonstrate on three rigid and conjugated biradicals how the presence of an exchange coupling constant J and its distribtion DJ influences PELDOR data and its analysis. In principle two combinations of J and D fulfill the experimental data in each case. The correct one, including the sign of J, can be determined via simulations in case the two halves of the Pake pattern are separated enough.

Original language	English
Pages (from-to)	6708-6714
Number of pages	7
Journal	Physical Chemistry Chemical Physics
Volume	11
DOIs	https://doi.org/10.1039/b905524j
Publication status	Published - 2009

Keywords

ELECTRON DOUBLE-RESONANCE
PULSED ELECTRON
CONFORMATIONAL FLEXIBILITY
RIBONUCLEOTIDE REDUCTASE
DISTANCE DISTRIBUTIONS
DISORDERED SOLIDS
EPR SPECTROSCOPY
RADICAL PAIRS
SPIN-ECHO
ORIENTATION

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title = "Ferro- and antiferromagnetic exchange coupling constants in PELDOR spectra",

abstract = "Pulsed electron electron double resonance (PELDOR) is a well-established method for measuring nanometer distances between paramagnetic centres. Here, we demonstrate on three rigid and conjugated biradicals how the presence of an exchange coupling constant J and its distribtion DJ influences PELDOR data and its analysis. In principle two combinations of J and D fulfill the experimental data in each case. The correct one, including the sign of J, can be determined via simulations in case the two halves of the Pake pattern are separated enough.",

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author = "D Margraf and P. Cekan and T.F. Prisner and S.Th. Sigurdsson* and Olav Schiemann",

year = "2009",

doi = "10.1039/b905524j",

language = "English",

volume = "11",

pages = "6708--6714",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "ROYAL SOC CHEMISTRY",

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TY - JOUR

T1 - Ferro- and antiferromagnetic exchange coupling constants in PELDOR spectra

AU - Margraf, D

AU - Cekan, P.

AU - Prisner, T.F.

AU - Sigurdsson, S.Th.

AU - Schiemann, Olav

PY - 2009

Y1 - 2009

N2 - Pulsed electron electron double resonance (PELDOR) is a well-established method for measuring nanometer distances between paramagnetic centres. Here, we demonstrate on three rigid and conjugated biradicals how the presence of an exchange coupling constant J and its distribtion DJ influences PELDOR data and its analysis. In principle two combinations of J and D fulfill the experimental data in each case. The correct one, including the sign of J, can be determined via simulations in case the two halves of the Pake pattern are separated enough.

AB - Pulsed electron electron double resonance (PELDOR) is a well-established method for measuring nanometer distances between paramagnetic centres. Here, we demonstrate on three rigid and conjugated biradicals how the presence of an exchange coupling constant J and its distribtion DJ influences PELDOR data and its analysis. In principle two combinations of J and D fulfill the experimental data in each case. The correct one, including the sign of J, can be determined via simulations in case the two halves of the Pake pattern are separated enough.

KW - ELECTRON DOUBLE-RESONANCE

KW - PULSED ELECTRON

KW - CONFORMATIONAL FLEXIBILITY

KW - RIBONUCLEOTIDE REDUCTASE

KW - DISTANCE DISTRIBUTIONS

KW - DISORDERED SOLIDS

KW - EPR SPECTROSCOPY

KW - RADICAL PAIRS

KW - SPIN-ECHO

KW - ORIENTATION

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U2 - 10.1039/b905524j

DO - 10.1039/b905524j

M3 - Article

SN - 1463-9076

VL - 11

SP - 6708

EP - 6714

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

ER -

Ferro- and antiferromagnetic exchange coupling constants in PELDOR spectra

Abstract

Keywords

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