The microscopic ordering and macroscopic disorder spectra analysis of X-band electronic paramagnetic resonance

Xue Wu, Howard Edmund, Nesmelov Yuri, David D Thomas

Research output: Contribution to journalArticle

Abstract

The correlation time and S order parameter are two important parameters to characterize the moving and distribution of the spin labeled macromolecule. It is significant to determine them simultaneously by lineshape analysis with an appropriate physics model for EPR spectrum analysis. In the present paper, the microscopic ordering and macroscopic disorder model (MOMD) was adopted to simulate the X-band EPR spectra of spin label with axial symmetric magnetic tensors. The experimental parameters were measured, and the divergence between the real values and the empirical values was analyzed. For MOMD spectra the authors proposed a criteria to select the experimental parameters. With the selected parameters, the correlation time and the internal S order parameter could be obtained simultaneously. And the valid range determined by the recognition function is presented.

Original languageEnglish (US)
Pages (from-to)209-212
Number of pages4
JournalGuang Pu Xue Yu Guang Pu Fen Xi/Spectroscopy and Spectral Analysis
Volume27
Issue number2
StatePublished - Feb 1 2007

Keywords

  • Correlation time
  • EPR simulation
  • MOMD model
  • S order parameter

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