Substituent effects in benz[a]anthracene carbocations: A stable ion, electrophilic substitution (nitration, bromination), and DFT study

Journal of Organic Chemistry

Volumn 72, Issue 18, 2007, Pages 6768-6775

  Laali, Kenneth K ^a   Arrica, Maria A ^a   Okazaki, Takao ^a   Harvey, Ronald G ^b  

^a KENT STATE UNIVERSITY   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZYLIC CARBOCATIONS; CHARGE DEREALIZATION PATHS; REGIOSELECTIVITIES; THERMODYNAMIC CATIONS;

BENZENE; DENSITY FUNCTIONAL THEORY; LOW TEMPERATURE EFFECTS; POSITIVE IONS; PROTONATION; THERMODYNAMICS;

OLEFINS;

12 ETHYLBENZ[A]ANTHRACENE; 12 METHYLBENZ[A]ANTHRACENE; 3,9 DIMETHYLBENZ[A]ANTHRACENE; 7 ETHYL 12 METHYLBENZ[A]ANTHRACENE; 7 METHYL 12 ETHYLBENZ[A]ANTHRACENE; 7,12 DIETHYLBENZ[A]ANTHRACENE; BENZ[A]ANTHRACENE DERIVATIVE; CATION; DIMETHYLBENZ[A]ANTHRACENE; UNCLASSIFIED DRUG;

ARTICLE; BROMINATION; CHEMICAL STRESS; DENSITY FUNCTIONAL THEORY; LOW TEMPERATURE; NITRATION; PROTON TRANSPORT; RING OPENING; STEREOCHEMISTRY; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

ALKYLATION; ANTHRACENES; BENZ(A)ANTHRACENES; BROMINE; CARBON; CATIONS; ELECTRONS; ETHYLENES; MAGNETIC RESONANCE SPECTROSCOPY; METHYLATION; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NITROGEN; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 34548786104     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo070936r     Document Type: Article

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