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Reduction of dihalo(organo)phosphanes might yield F-functionalized phosphanyl radicals as transient species, but only subsequently formed products have been unambigously identified to date; see for example
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Reduction of dihalo(organo)phosphanes might yield F-functionalized phosphanyl radicals as transient species, but only subsequently formed products have been unambigously identified to date; see for example: J. Geier, H. Rüegger, M. Wörle, H. Grützmacher, Angew. Chem. 2003, 115, 4081-4085;
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37Q isotopomers, thus indicating a phosphorus-chlorine bond.
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37Q isotopomers, thus indicating a phosphorus-chlorine bond.
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2) featuring three-coordinate phosphorus with a pyramidal geometry (bond angle sum at phosphorus: 311.5°)
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2) featuring three-coordinate phosphorus with a pyramidal geometry (bond angle sum at phosphorus: 311.5°): A. Özbolat, G. von Frantzius, E. Ionescu, S. Schneider, M. Nieger, P. G. Jones, R. Streubel, Organometallics 2007 ,26, 4021-4024.
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77956579752
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3- based on the crystal structures. All the calculations were performed using the ORCA Program package (F. Neese, University of Ronn, 2010) and employ the BP functional and a TZVP basis set within a spin-unrestricted Kohn-Sham formalism.
-
3- based on the crystal structures. All the calculations were performed using the ORCA Program package (F. Neese, University of Ronn, 2010) and employ the BP functional and a TZVP basis set within a spin-unrestricted Kohn-Sham formalism.
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-
-
-
41
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77956586244
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The term spin-density distribution refers to the spin density as a function of three-dimensional space, as depicted in Figure 5. The term (Mulliken) spin population refers to its coefficients; for example, in case of 3a, the unpaired electron resides up to 87 % at a P(3p) orbital.
-
The term spin-density distribution refers to the spin density as a function of three-dimensional space, as depicted in Figure 5. The term (Mulliken) spin population refers to its coefficients; for example, in case of 3a, the unpaired electron resides up to 87 % at a P(3p) orbital.
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