Events The 1st International Electronic Conference on Synthetic Organic Chemistry

Event submissions

Published

10.3390/ecsoc-1-02058

This submission belongs to the session e. Structural Characterization and Biological and Chemical Activity Tests of the event The 1st International Electronic Conference on Synthetic Organic Chemistry

Published date

01 Sep, 1997

Citation

Hanqing Wu, Organic and Drug Molecules Spin Traps and Free Radicals Multi-frequency EPR Spectra Simulation by Fast Fourier Transform (FFT), in Proceedings of The 1st International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 1997, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-1-02058

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Organic and Drug Molecules Spin Traps and Free Radicals Multi-frequency EPR Spectra Simulation by Fast Fourier Transform (FFT)

Hanqing Wu ¹

1. Department of Chemistry, University of Wisconsin-Milwaukee, Milwaukee, WI 53201, USA. E-mail: hanqing@csd.uwm.edu

Abstract

Fast fourier transform (FFT) has been used for simulation of EPR spectra. The author applied it to simulate spin traps and free radicals multi-frequency EPR spectra. The simulated EPR spectra results are discussed and compared with each other. Two methods are introduced to simulate EPR spectra at other frequencies besides X-band (~9.0 G Hz). The simple modified program provided here can simulate almost all the common spin traps and free radicals of organic and drug molecules.

Keywords

Spin traps

free radical

EPR

simulation

multi-frequency

Fast Fourier Transform (FFT).

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