Thermochemistry and kinetics of angelica and cognate lactones.
The enthalpies of formation, bond dissociation energies, ionization potentials, and kinetics of reaction with hydrogen atoms and methyl radicals have been systematically calculated for angelica lactone and a number of related furanones. The objective was to provide comprehensive thermodynamic and kinetic data of compounds that are projected to play a role as intermediates in the production of platform chemicals and biofuels.
School of Chemistry, National University of Ireland , Galway, Ireland.
Judith
J
Wurmel
John M
JM
Simmie
D056804:Biofuels; D018533:Biomass; D005663:Furans / Q000737:chemistry*; D007700:Kinetics; D007783:Lactones / Q000737:chemistry*; D008697:Methane / Q000031:analogs & derivatives* / Q000737:chemistry; D013816:Thermodynamics
D056804:Biofuels; D005663:Furans; D007783:Lactones; C051224:methyl radical; D008697:Methane