Thermal [1,5] hydrogen sigmatropic shifts in cis,cis-1,3-cyclononadienes probed by gas-phase kinetic studies and density functional theory calculations

Journal of the American Chemical Society

Volumn 128, Issue 46, 2006, Pages 14854-14862

  Baldwin, John E ^a   Raghavan, Anuradha S ^a   Hess Jr , B Andes ^b   Smentek, Lidia ^b,c  

^a SYRACUSE UNIVERSITY   (United States)

^b VANDERBILT UNIVERSITY   (United States)

^c NICOLAUS COPERNICUS UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CRYSTAL STRUCTURE; DEUTERIUM COMPOUNDS; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

ACTIVATION PARAMETERS; GAS-PHASE THERMAL [1,5] HYDROGEN; HYDROGEN SHIFT TRANSITION; MOLE FRACTIONS;

OLEFINS;

1,3 CYCLONONADIENE DERIVATIVE; ALKADIENE; HYDROGEN; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL REACTION KINETICS; CONFORMATION; DENSITY FUNCTIONAL THEORY; GAS ANALYSIS; GEOMETRY; HYDROGEN BOND; ISOMERISM; ISOMERIZATION; ISOTOPE LABELING; MATHEMATICAL COMPUTING; PHASE TRANSITION; WINSTEIN HOLNESS EQUATION;

EID: 33845231380     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja065656s     Document Type: Article

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