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Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions
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Tautomerism in Reduced Pyrazinacenes.

Roberto Scipioni1, Mauro Boero1, Gary J Richards1

  • 1WPI Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science, Namiki 1-1, Tsukuba, Ibaraki 305-0044, Japan, Max Planck Institute for Polymer Research, Mainz, Ackermannweg 10, 55124, Germany, Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), UMR 7504 CNRS-University of Strasbourg, 23 rue du Loess, F-67034 Strasbourg, France, Computational Materials Center, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 Japan, and Fuel Cell Materials Center, Nanoionics Group, National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki, 305-0044, Japan.

Journal of Chemical Theory and Computation
|December 1, 2015
PubMed
Summary

NH tautomerism in pyrazinacenes was investigated. Proton transfer lowers energy barriers and alters electronic structure, with stability influenced by proton position and molecular length, showing an odd-even effect.

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