Issue 31, 2009
From the journal:

Physical Chemistry Chemical Physics

Ferro- and antiferromagnetic exchange coupling constants in PELDORspectra†

D. Margraf,‡a   P. Cekan,‡b   T. F. Prisner,*a   S. Th. Sigurdsson*b  and  O. Schiemann*c  

* Corresponding authors

a Institute for Physical and Theoretical Chemistry, Centre for Biomolecular Magnetic Resonance, Goethe-University, Max-von-Laue-Str.7, 60438 Frankfurt, Germany
E-mail: prisner@chemie.uni-frankfurt.de

b Science Institute, University of Iceland, Dunhaga 3, 107 Reykjavik, Iceland
E-mail: snorrisi@hi.is
Fax: +354 552 8911
Tel: +354 525 4800

c Centre for Biomolecular Sciences, Centre of Magnetic Resonance, University of St. Andrews, North Haugh, St Andrews, UK
E-mail: os11@st-andrews.ac.uk
Fax: +44 (0)1334 46 3410
Tel: +44 (0)1334 46 3410

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.

Graphical abstract: Ferro- and antiferromagnetic exchange coupling constants in PELDOR spectra

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Article information

DOI
https://doi.org/10.1039/B905524J
Article type
Paper
Submitted
18 Mar 2009
Accepted
01 Jun 2009
First published
29 Jun 2009

Phys. Chem. Chem. Phys., 2009,11, 6708-6714

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Ferro- and antiferromagnetic exchange coupling constants in PELDOR spectra

D. Margraf, P. Cekan, T. F. Prisner, S. Th. Sigurdsson and O. Schiemann, Phys. Chem. Chem. Phys., 2009, 11, 6708 DOI: 10.1039/B905524J

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