Can aromaticity coexist with diradical character? An ab initio valence bond study of S2N2 and related 6π-electron four-membered rings E2N2 and E42+ (E=S, Se, Te)

ChemPhysChem

Volumn 13, Issue 3, 2012, Pages 811-819

  Braïda, Benoët ^a   Lo, Aurélien ^a   Hiberty, Philippe C ^b  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^b UNIVERSITÉ PARIS SUD   (France)

Author keywords

ab initio calculations; aromaticity; heterocycles; radicals; valence bond theory

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; ELECTRONIC STRUCTURE; ELECTRONS; MOLECULES;

AB INITIO CALCULATIONS; AROMATICITIES; HETEROCYCLES; RADICALS; VALENCE BOND THEORY;

AROMATIZATION;

EID: 84857281020     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201100959     Document Type: Article

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