DFT calculations at the B3LYP/6-311+G(d,p) level for the C, H, and O atoms and at the 6-311+G(2df,p) level for the S atom were used to study the hetero-Diels–Alder reactions between several α-oxothiones and ethylene or methyl vinyl ether (MVE).
Alternative Mechanistic Paths in the Hetero Diels-Alder Reaction of Oxothiones: A Theoretical Study / L. Legnani; C. Lunghi; F. Albini Marione; C. Nativi; B. Richichi; L. Toma. - In: EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. - ISSN 1434-193X. - STAMPA. - (2007), pp. 3547-3554. [10.1002/ejoc.200700112]
Alternative Mechanistic Paths in the Hetero Diels-Alder Reaction of Oxothiones: A Theoretical Study
NATIVI, CRISTINA;RICHICHI, BARBARA;
2007
Abstract
DFT calculations at the B3LYP/6-311+G(d,p) level for the C, H, and O atoms and at the 6-311+G(2df,p) level for the S atom were used to study the hetero-Diels–Alder reactions between several α-oxothiones and ethylene or methyl vinyl ether (MVE).
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