Betou Marie, Kerisit Nicolas, Meledje Esme, Leroux Yann R, Katan Claudine, Halet Jean-François, Guillemin Jean-Claude, Trolez Yann
Institut des Sciences Chimiques de Rennes, UMR 6226, CNRS, Ecole Nationale Supérieure de Chimie de Rennes, Université de Rennes 1, 35708 Rennes Cedex (France), Fax: (+33) 2-23238108.
Chemistry. 2014 Jul 28;20(31):9553-7. doi: 10.1002/chem.201402653. Epub 2014 Jun 24.
A high-yielding sequence of [2+2] cycloaddition-retroelectrocyclization of ynamides with tetracyanoethylene (TCNE) is described. The reaction provided tetracyanobutadiene (TCBD) species, which were characterized by various techniques. DFT and TD-DFT calculations were also performed to complement experimental findings.
描述了一种高产率的炔酰胺与四氰基乙烯(TCNE)的[2+2]环加成-逆电环化反应序列。该反应生成了四氰基丁二烯(TCBD)物种,并用各种技术对其进行了表征。还进行了密度泛函理论(DFT)和含时密度泛函理论(TD-DFT)计算以补充实验结果。