Ferro- and antiferromagnetic exchange coupling constants in PELDOR spectra

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

doi:10.1039/b905524j

Ferro- and antiferromagnetic exchange coupling constants in PELDOR spectra

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

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40 Scopus citations

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 ΔJ 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
Issue number	31
DOIs	https://doi.org/10.1039/b905524j
State	Published - 2009
Externally published	Yes

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AU - Margraf, D.

AU - Cekan, P.

AU - Prisner, T. F.

AU - Sigurdsson, S. Th

AU - Schiemann, O.

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 ΔJ 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 ΔJ 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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JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

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Ferro- and antiferromagnetic exchange coupling constants in PELDOR spectra

Abstract

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