Thermal [1,5] Hydrogen Sigmatropic Shifts in cis,cis-1,3-Cyclononadienes Probed by Gas-Phase Kinetic Studies and Density Functional Theory Calculations.

The kinetics of gas-phase thermal [1,5] hydrogen shifts interconverting the five isomeric mono-deuterium-labeled cis, cis-1,3-cyclononadienes have been followed at four temperatures from 240 to 287 °C. The activation parameters found were E = 37.1 ± 0.8 kcal/mol, log A = 11.6 ± 0.3, ΔH† = 36.0 ± 0.8...

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Publicado en:	Journal of the American Chemical Society Vol. 128; no. 46; pp. 14854 - 14863
Autores principales:	Baldwin, John E., Raghavan, Anuradha S., Hess Jr., B. Andes, Smentek, Lidia
Formato:	Artículo
Publicado:	American Chemical Society 11/22/2006
Materias:	Chemical kinetics Deuterium Density functionals Isomerization Functional analysis Isomerism
Acceso en línea:	Ver este registro en EBSCOhost