Thermochemistry and kinetics of angelica and cognate lactones

Judith Wurmel; John M. Simmie

doi:10.1021/jp502310v

Thermochemistry and kinetics of angelica and cognate lactones

Judith Wurmel
, John M. Simmie

Cellular & Molecular Medicine

University of Galway

Research output: Contribution to a Journal (Peer & Non Peer) › Article › peer-review

10 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	4172-4183
Number of pages	12
Journal	Journal of Physical Chemistry A
Volume	118
Issue number	23
DOIs	https://doi.org/10.1021/jp502310v
Publication status	Published - 12 Jun 2014

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10.1021/jp502310v

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title = "Thermochemistry and kinetics of angelica and cognate lactones",

abstract = "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.",

author = "Judith Wurmel and Simmie, \{John M.\}",

year = "2014",

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T1 - Thermochemistry and kinetics of angelica and cognate lactones

AU - Wurmel, Judith

AU - Simmie, John M.

PY - 2014/6/12

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N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/84902491237

U2 - 10.1021/jp502310v

DO - 10.1021/jp502310v

M3 - Article

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SP - 4172

EP - 4183

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 23

ER -

Thermochemistry and kinetics of angelica and cognate lactones

Abstract

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