Competing gas-phase substitution and elimination reactions of gemini surfactants with anionic counterions by mass spectrometry. density functional theory correlations with their bolaform halide salt models

Journal of Physical Chemistry B

Volumn 112, Issue 46, 2008, Pages 14435-14445

  Aimé, Carole ^a   Plet, Benoit ^a   Manet, Sabine ^a   Schmitter, Jean Marie ^a   Huc, Ivan ^a   Oda, Reiko ^a   Sauers, Ronald R ^b   Romsted, Laurence S ^b  

^a UNIVERSITÉ DE BORDEAUX   (France)

^b RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINITY; AMINES; AMMONIUM COMPOUNDS; ANIONIC SURFACTANTS; CARBON DIOXIDE; CHEMICAL REACTIONS; COLLOIDS; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; IONS; MASS SPECTROMETERS; MASS SPECTROMETRY; MODEL STRUCTURES; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION; SPECTROMETERS; SPECTROMETRY; SPECTRUM ANALYSIS; SULFUR COMPOUNDS; SURFACE ACTIVE AGENTS;

ACTIVATION ENTHALPIES; ANION STRUCTURES; ASSOCIATION COLLOIDS; COUNTERION; COUNTERIONS; DFT CALCULATIONS; DICATION; ELECTROSTATIC INTERACTIONS; ELIMINATION REACTIONS; GEMINI SURFACTANTS; HALIDE SALTS; INDUCED DISSOCIATIONS; ION PAIRS; LEAVING GROUPS; MONOANION; PHASE SUBSTITUTIONS; PROBE IONS; QUATERNARY AMMONIUM GROUPS; REACTION PATHWAYS; REACTIVITY PATTERNS; SEQUENTIAL COLLISIONS; SOLUTION PROPERTIES; SPACER LENGTHS; SPECIFIC EFFECTS; TRANSITION STATES; UNSOLVED PROBLEMS;

DENSITY FUNCTIONAL THEORY;

EID: 57249090640     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp802801r     Document Type: Article

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64. - gives the longest the C⋯H bond in the transition structure (Table 5B), and the developing negative charge on carbon would be the most stabilized by the adjacent cationic ammonium group.