Journal
HETEROATOM CHEMISTRY
Volume 25, Issue 6, Pages 651-657Publisher
WILEY-HINDAWI
DOI: 10.1002/hc.21207
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Funding
- Deutsche Forschungsgemeinschaft [26-3, 30-1]
- COST action [CM1302]
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The synthesis of a novel mixed valence P-ligand system (II/I) with a P-P bond bearing phosphonite and P-H phosphanyl subunits was achieved via the reaction of a Li/Cl phosphinidenoid complex with a phosphite-substituted ketone. Density functional theory (DFT) calculations provide insight into bonding features of the novel R(H) P-P(OR')(2) ligand system and its tautomer RP = PH(OR')(2). Wiberg bond index, Mayer bond order, and electron density at bond critical points are reported for both the free and ligated forms, pointing to a high degree of P=P double bond character of the free ligand with a significant bond order decrease in end-on pentacarbonyltungsten complexation. (C) 2014 Wiley Periodicals, Inc.
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