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A Photochemical Metallocene Route to Anionic Enediynes: Synthesis, Solid-State Structures, and ab Initio Computations on Cyclopentadienidoenediynes

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posted on 18.08.2010 by Joseph M. O’Connor, Kim K. Baldridge, Betsy L. Rodgers, Marissa Aubrey, Ryan L. Holland, W. Scott Kassel, Arnold L. Rheingold
The first demonstration of photochemical enediyne liberation from a metal complex has led to a new class of enediynes, the cyclopentadienidoenediynes, which are demonstrated to exist as air-stable solids with low ionization potentials and large dipole moments. NMR and IR spectroscopy, X-ray crystallography, and ab initio computations enable a comparison with the ubiquitous benzoenediynes.