Reactivity toward oxygen of isobenzofuranyl radicals: Effect of nitro group substitution

Organic Letters

Volumn 5, Issue 9, 2003, Pages 1515-1518

  Font Sanchis, Enrique ^a   Aliaga, Carolina ^a   Cornejo, Raecca ^a   Scaiano, J C ^a  

^a UNIVERSITY OF OTTAWA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; ISOBENZOFURAN DERIVATIVE; NITRO DERIVATIVE; OXYGEN; PHENYL GROUP; RADICAL;

ABSORPTION SPECTROPHOTOMETRY; ARTICLE; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; OXYGENATION;

EID: 0141630405     PISSN: 15237060     EISSN: None     Source Type: Journal    
DOI: 10.1021/ol034307p     Document Type: Article

References (16)

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10. Spin density calculations were calculated by Density Functional Theory. Electronic structures of the radical molecules were calculated with use of the Spartan software package (V.5.0.3, Wavefunction, Inc. Irvine). The molecular structures were optimized employing a split-valence basis with a single set of polarization functions added to each atom (DN**). A gradient-corrected functional combining Becke-Perdew as the exchange-correlation functional (BP86) was chosen. For more details see the Supporting Information.
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