Title of article :
Computational modeling of isotropic electron paramagnetic resonance spectra of doublet state main group radicals
Author/Authors :
Heikki M. Tuononen، نويسنده , , Tristram Chivers، نويسنده , , Andrea Armstrong، نويسنده , , Chantall Fedorchuk، نويسنده , , René T. Boeré، نويسنده ,
Issue Information :
دوفصلنامه با شماره پیاپی سال 2007
Pages :
11
From page :
2705
To page :
2715
Abstract :
The combined use of theoretical and mathematical methods in the analysis of electron paramagnetic resonance data has greatly increased the ability to interpret even the most complex spectra reported for doublet state inorganic main group radicals. This personal account summarizes the theoretical basis of such an approach and provides an in-depth discussion of some recent illustrative examples of the utilization of this methodology in practical applications. The emphasis is on displaying the enormous potential embodied within the approach.
Keywords :
Spectral simulation , DFT calculations , EPR spectroscopy , Main group radicals
Journal title :
Journal of Organometallic Chemistry
Serial Year :
2007
Journal title :
Journal of Organometallic Chemistry
Record number :
1377792
Link To Document :
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