Structures and EPR spectra of binary sulfur-nitrogen radicals from DFT calculations

Journal of Organometallic Chemistry

Volumn 692, Issue 13, 2007, Pages 2683-2696

  Boeré, René T ^a   Tuononen, Heikki M ^b   Chivers, Tristram ^c   Roemmele, Tracey L ^a,c  

^a UNIVERSITY OF LETHBRIDGE   (Canada)

^b UNIVERSITY OF JYVÄSKYLÄ   (Finland)

^c UNIVERSITY OF CALGARY   (Canada)

Author keywords

DFT calculations; EPR spectroscopy; Hyperfine coupling constants; Radicals; Sulfur nitrogen compounds

Indexed keywords

DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; MOLECULAR STRUCTURE; NITROGEN COMPOUNDS; PARAMAGNETIC RESONANCE;

CYCLIC SYSTEMS; HYPERFINE COUPLING CONSTANTS; INORGANIC RINGS; RADICALS;

SULFUR COMPOUNDS;

EID: 34248329923     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2006.11.026     Document Type: Article

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