Analysis of slow molecular motions from nitroxyl-radical 2-mm ESR spectra (isotropic rotators)
Theoretical spectra are examined for the 2-mm ESR range for nitroxyl radicals; these have been derived from a stochastic Liouville equation for two models for isotropic rotations (brownian and step diffusion). The broadening and shift have been examined for the high-field z component in relation to the model and to the magnetic and dynamic parameters for lorentzian and nonlorentzian line shapes. A simple method is proposed for defining the model for the rotational motion from the width and shift in this component. A universal method has been devised for evaluating the correlation times tau for isotropic rotations from the theoretical dependence of the broadening and shift of the high-field z component on tau in the range of slow movements, 2 x 10/sup -8/ < tau < 10/sup -5/ sec.
- OSTI ID:
- 5377319
- Journal Information:
- Theor. Exp. Chem. (Engl. Transl.); (United States), Vol. 23:1; Other Information: Translated from Teor. Eksp. Khim.; 23: No. 1, 46-53(Jan-Feb 1987)
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
NITROXYL RADICALS
CONFORMATIONAL CHANGES
ELECTRON SPIN RESONANCE
HYPERFINE STRUCTURE
ISOMERIZATION
MOLECULAR MODELS
BOLTZMANN-VLASOV EQUATION
BROWNIAN MOVEMENT
DIFFUSION
LINE BROADENING
ROTATION
SPECTRA
SPECTRAL SHIFT
STOCHASTIC PROCESSES
CHEMICAL REACTIONS
DIFFERENTIAL EQUATIONS
EQUATIONS
MAGNETIC RESONANCE
MATHEMATICAL MODELS
MOTION
PARTIAL DIFFERENTIAL EQUATIONS
RADICALS
RESONANCE
640302* - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory