From phenyl chlorides to α, n-didehydrotoluenes via phenyl cations. A CPCM-CASMP2 investigation

Journal of Organic Chemistry

Volumn 78, Issue 8, 2013, Pages 3814-3820

  Ravelli, Davide ^a   Protti, Stefano ^a   Fagnoni, Maurizio ^a   Albini, Angelo ^a  

^a UNIVERSITY OF PAVIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; CONICAL INTERSECTION; INTER-SYSTEM CROSSINGS; PHENYL CATIONS; PHOTOCHEMICAL GENERATION; SOLVENT MODEL; SPIN STATE; TRIPLET STATE;

CHLORINE COMPOUNDS; ISOMERS; SPIN DYNAMICS;

POSITIVE IONS;

(N CHLOROBENZYL)TRIMETHYLSILANE DERIVATIVE; ALPHA,N DIDEHYDROTOLUENE DERIVATIVE; CATION; PHENYL CHLORIDE DERIVATIVE; PHENYL GROUP; SILANE DERIVATIVE; TOLUENE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL MODEL; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPLETE ACTIVE SPACE SELF CONSISTENT FIELD; ELECTRIC POTENTIAL; ENERGY; ISOMER; MATHEMATICAL ANALYSIS; PHOTOCHEMISTRY; REACTION ANALYSIS; SYNTHESIS;

EID: 84876544457     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo400269s     Document Type: Article

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