Correlation analysis of the interconversion and nitrogen loss reactions of aryl pentazenes and pentazoles derived from aryl diazonium and azide ions

International Journal of Quantum Chemistry

Volumn 109, Issue 15, 2009, Pages 3613-3618

  Burke, Luke A ^a   Fazen, Paul J ^b  

^a RUTGERS UNIVERSITY   (United States)

^b VILLANOVA UNIVERSITY   (United States)

Author keywords

Arylpentazene; Arylpentazole; Pentazene; Pentazole; Pentazole anion

Indexed keywords

AROMATICITIES; ARYLDIAZONIUM; AZIDE ION; BOND-BREAKING; CCSD CALCULATIONS; CONCERTED REACTIONS; CORRELATION ANALYSIS; CYCLIZATION REACTIONS; DENSITY FUNCTIONAL THEORY METHODS; E CONFIGURATION; ELECTRON WITHDRAWING GROUP; IN-PLANE; INTERCONVERSIONS; LONE PAIR; MP2/6-31G; NITROGEN LOSS; PENTAZOLE; REACTION ENERGY; TRANSITION STATE STRUCTURE;

BIOLOGY; CYCLIZATION; DENSITY FUNCTIONAL THEORY; IONS; SYNTHESIS (CHEMICAL);

ACTIVATION ENERGY;

EID: 73049110955     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22408     Document Type: Conference Paper

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