Stepwise hydration of ionized aromatics. Energies, structures of the hydrated benzene cation, and the mechanism of deprotonation reactions

Journal of the American Chemical Society

Volumn 127, Issue 19, 2005, Pages 7053-7064

  Ibrahim, Yehia M ^a,b   Meot Ner, Michael ^a   Alshraeh, Edreese H ^a   El Shall, M Samy ^a   Scheiner, Steve ^b  

^a VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

^b UTAH STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; BENZENE; BINDING ENERGY; CONCENTRATION (PROCESS); HYDRATION; HYDROGEN BONDS; WATER;

DEPROTONATION; HYDRATION ENERGIES; ION MOBILITY CELLS; THERMOCHEMISTRY; WATER MOLECULES;

AROMATIC COMPOUNDS;

BENZENE; WATER;

ARTICLE; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; ENERGY; ENTROPY; EQUILIBRIUM CONSTANT; HYDRATION; MATHEMATICAL ANALYSIS; PROTON TRANSPORT; SOLVATION; TEMPERATURE; THERMAL ANALYSIS;

BENZENE; CATIONS; FREE RADICALS; HYDROPHOBICITY; KINETICS; MODELS, MOLECULAR; PROTONS; THERMODYNAMICS; WATER;

EID: 18744384659     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja050477g     Document Type: Article

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