The gas phase acidity of oligofluorobenzenes and oligochlorobenzenes: About the additivity or non-additivity of substituent effects

Chemistry - A European Journal

Volumn 11, Issue 4, 2005, Pages 1251-1256

  Hyla Kryspin, Isabella ^a   Grimme, Stefan ^a   Büker, Heinz H ^b   Nibbering, Nico M M ^b   Cottet, Fabrice ^c   Schlosser, Manfred ^c  

^a UNIVERSITY OF MÜNSTER   (Germany)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

^c EPFL   (Switzerland)

Author keywords

Ab initio calculations; Additivity; Arenes; Halogens; Substituent effects

Indexed keywords

ACIDITY; ADDITIVES; HALOGEN COMPOUNDS; PROBABILITY DENSITY FUNCTION; SUBSTRATES;

CHLOROBENZENE; DENSITY FUNCTIONAL THEORY; DEPROTONATION ENERGIES; DISUBSTITUTED SUBSTRATES;

BENZENE;

ANION; AROMATIC COMPOUND; BENZENE; BENZENE DERIVATIVE; CHLOROBENZENE; CHLOROBENZENE DERIVATIVE; DICHLOROBENZENE; DIFLUOROBENZENE; FLUOROBENZENE; HALOGEN; OLIGOCHLOROBENZENE DERIVATIVE; OLIGOFLUOROBENZENE DERIVATIVE; PENTACHLOROBENZENE; PENTAFLUOROBENZENE; TETRACHLOROBENZENE; TETRAFLUOROBENZENE; TRICHLOROBENZENE; TRIFLUOROBENZENE; UNCLASSIFIED DRUG;

ACIDIFICATION; ACIDITY; ADDITION REACTION; ARTICLE; CALCULATION; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; DEPROTONATION; ELECTRON TRANSPORT; GAS ANALYSIS; MOLLER PLESSET THEORY; PHASE SEPARATION; PROTON TRANSPORT; SUBSTITUTION REACTION;

EID: 14544293531     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200400967     Document Type: Article

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