Benzylic cations with triplet ground states: Computational studies of aryl carbenium ions, silylenium ions, nitrenium ions, and oxenium ions substituted with meta π donors

Journal of the American Chemical Society

Volumn 129, Issue 33, 2007, Pages 10113-10119

  Winter, Arthur H ^a   Falvey, Daniel E ^a   Cramer, Christopher J ^b   Gherman, Benjamin F ^c  

^a University of Maryland   (United States)

^b UNIVERSITY OF MINNESOTA   (United States)

^c CALIFORNIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARYL CARBENIUM IONS; BENZYLIC CATIONS; ELECTRON DONATING GROUPS; EXOCYCLIC CARBON; NAPHTHAQUINODIMETHANE;

DENSITY FUNCTIONAL THEORY; ENERGY GAP; GROUND STATE; POSITIVE IONS; SUBSTITUTION REACTIONS;

MOLECULAR DYNAMICS;

3,5 BIS(N,N DIMETHYLAMINO)BENZYL DERIVATIVE; BENZENE; BENZILIC ACID; CARBENE; CARBENIUM DERIVATIVE; CATION; NAPHTHAQUINODIMETHANE; NITRATE; NITRENIUM DERIVATIVE; OXENIUM DERIVATIVE; OXYGEN DERIVATIVE; RADICAL; SILANE DERIVATIVE; SILYLENIUM DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CATION TRANSPORT; DENSITY FUNCTIONAL THEORY; DIAGNOSTIC ACCURACY; MATHEMATICAL COMPUTING; MOLECULAR STABILITY; MULTIREFERENCE SECOND ORDER PERTURBATION THEORY; QUANTITATIVE ANALYSIS; SUBSTITUTION REACTION;

EID: 34548189449     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja070143m     Document Type: Article

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