Generalization of the lineshape useful in magnetic resonance spectroscopy.
A new lineshape function is derived from the Tsallis distribution to describe electron paramagnetic resonance (EPR) spectra, and possibly nuclear magnetic resonance (NMR) spectra as well. This lineshape generalizes the Gaussian and Lorentzian lineshapes that are widely used in simulations. The main features of this lineshape function are presented: the normalization, moments, and first derivative. A number of experimental EPR spectra are compared with the results of simulations employing the new lineshape function. The results show that the new lineshape often provides a better approximation of the experimental spectrum. It is also shown that the new parameter of the lineshape function can be used to quantify the intermolecular spin-spin interactions.
Howarth
David F
DF
Department of Chemistry, 110 Science Place, University of Saskatchewan, University of Saskatchewan, Saskatoon, SK, Canada S7N 5C9.
Weil
John A
JA
Zimpel
Zbigniew
Z