Reversible Carbon−Carbon Double Bond Cleavage of a Ketene Ligand at a Single Iridium(I) Center: A Theoretical Study§
作者： Heiko Urtel , Galina A. Bikzhanova , Douglas B. Grotjahn , Peter Hofmann
DOI: 10.1021/OM010503T
关键词: Chemistry 、 Iridium 、 Double bond 、 Cleavage (embryo) 、 Ligand 、 Photochemistry 、 Ketene 、 Crystallography 、 Reinforced carbon–carbon 、 Center (category theory)
摘要: Modeling the chemistry of ketene complex {κ2-(t-Bu)2PCH2P(t-Bu)2}IrCl[η2-(C,C)-Ph2CCO] (1), DFT studies have been carried out for (κ2-H2PCH2PH2)IrCl[η2-(C,C)-H2CCO] (A), cation (κ2-H2PCH2PH2)Ir...
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