Polytrifluoromethylation versus polyfluorination of the isomers of kekulé benzene and phenol: A theoretical study

Journal of Organic Chemistry

Volumn 75, Issue 19, 2010, Pages 6436-6444

  Lipping, Lauri ^a   Koppel, Ivar ^a   Koppel, Ilmar A ^a   Kolomeitsev, Alexander ^b   Röschenthaler, Gerd Volker ^c   Leito, Ivo ^a  

^a UNIVERSITY OF TARTU   (Estonia)

^b UNIVERSITY OF BREMEN   (Germany)

^c JACOBS UNIVERSITY BREMEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITIVITY; BENZENE DERIVATIVES; CAGE COMPOUNDS; DEPROTONATION PROCESS; DEWAR BENZENE; DFT-B3LYP; FLUORINE SUBSTITUENTS; GAS-PHASE ACIDITIES; HYDROXY COMPOUNDS; HYDROXYDERIVATIVE; ISODESMIC REACTIONS; PHENOL DERIVATIVES; STERIC EFFECT; SUBSTITUENT EFFECT; THEORETICAL STUDY; VALENCE ISOMER;

ACIDITY; BENZENE; DEWARS; ELECTRONIC STRUCTURE; FLUORINE; MOLECULAR GRAPHICS; ORGANIC POLYMERS; PHENOLS;

ISOMERS;

BENZENE; FLUORINE; KEKULE BENZENE; PHENOL; UNCLASSIFIED DRUG;

ACIDITY; ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; INTERMETHOD COMPARISON; ISOMER; ISOMERIZATION; POLYFLUORINATION; POLYTRIFLUOROMETHYLATION; PROTON TRANSPORT; SUBSTITUTION REACTION; THEORETICAL STUDY; THERMOSTABILITY;

BENZENE DERIVATIVES; COMPUTER SIMULATION; HALOGENATION; METHYLATION; MOLECULAR STRUCTURE; PHENOLS; STEREOISOMERISM;

EID: 77957162495     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo101061u     Document Type: Article

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