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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, 00:00 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.