Periodane - An unexpectedly stable molecule of unique composition

摘要

Structure, bonding characteristics, and reaction energies as well as optical, vibrational, and nuclear magnetic resonance (NMR) properties of the hitherto unknown molecule LiBeBCNOF, called periodane, have been calculated by quantum chemical methods. It can be shown that periodane is stable enough to be produced and identified experimentally. (c) 2006 Wiley Periodicals, Inc. Int J Quantum Chem 106: 1865-1869, 2006.