Ei Elimination: An Unprecedented Facet of Sulfone Chemistry

Autor:	Jerry W. Cubbage, and Brian W. Vos, William S. Jenks
Rok vydání:	2000
Předmět:	Chemistry Thermal decomposition Enthalpy General Chemistry Kinetic energy Biochemistry Catalysis Styrene Sulfone chemistry.chemical_compound Colloid and Surface Chemistry Deuterium Ab initio quantum chemistry methods Computational chemistry Kinetic isotope effect Physical chemistry
Zdroj:	Journal of the American Chemical Society. 122:4968-4971
ISSN:	1520-5126 0002-7863
Popis:	Thermolysis of methyl 3-phenylpropyl sulfone in the gas phase results in formation of allylbenzene. Activation parameters of ΔH⧧ = 53.5 ± 1.0 kcal/mol and ΔS⧧ = −0.7 ± 1.4 cal/(mol·K) were obtained over the range of 490−550 °C. Similar measurements with a deuterated analogue show a substantial isotope effect, and a lower activation enthalpy is observed for the formation of styrene from methyl 2-phenylethyl sulfone. Along with high-quality ab initio calculations of activation parameters and kinetic isotope effects, these results indicate that this is the first reported Ei reaction of a simple sulfone.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::845509a77b23e6825ac3735c5d6e22d7 https://doi.org/10.1021/ja994150p Zobrazit plný text záznamu