Electron magnetic resonance spectroscopy of organic radicals in liquid
phase
- Organic
π-radicals in liquid
phase
- Chemical
and electrolytic sample preparation methods
- EPR,
ENDOR and TRIPLE resonance techniques
- Ab initio calculations of hyperfine
coupling constants
- Theoretical
methods for simulating EMR spectra
- Development of modern
computer interfaces to EMR spectrometers
Research
Redox reactions of quinone compounds
have found application in many areas of chemistry and biology, such as
photosynthesis, anthracycline cytostatic drugs, and wood and paper
chemistry. In this research electron spin resonance (ESR; EPR) and
electron
nuclear double resonance (ENDOR) spectroscopic methods are used to
determine magnetic parameters for quinone radicals in the liquid phase.
For example, the isotropic hyperfine coupling constants can act as
sensitive probes in the determination of molecular geometries,
dynamics, and radical - solvent interactions. When experiments are
combined with modern spectral analysis tools and high-level ab initio calculations, it is
possible to characterize the radicals in great detail.
Representative publications
J. Eloranta, R. Suontamo, and M. Vuolle, Molecular orbital study
of the isotropic hyperfine coupling constants of hydroquinone and
tetramethylhydroquinone cation radicals, Journal of the Chemical Society, Faraday
Transactions 93, 3313
(1997).
J. Eloranta, Xemr - A
general purpose Electron Magnetic Resonance software, EPR Newsletter (International EPR
society) 10, 3 (1999).
J. Eloranta and M. Vuolle, Temperature dependence of the isotropic
hyperfine coupling constants in 1,4-hydroquinone and
1,4-dihydroxy-naphthalene cation radicals, Magnetic Resonance in Chemistry 36, 98 (1998).
S. Fiedler and J. Eloranta, Effects of static and dynamics
perturbations on isotropic hyperfine coupling constants in quinone
radicals, Magnetic Resonance in
Chemistry 43, 231
(2005).
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