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Homoleptic Lanthanide Complexes of Chelating Phosphanamides—An Experimental and Theoretical Study
Authors:Thomas G Wetzel  Stefanie Dehnen  Peter W Roesky
Abstract:Four chelating ligands are present in the first phosphanamide complexes of Group 3 metals and the lanthanides (see structure shown). However, these ligands coordinate to form a distorted molecular structure. The compounds were characterized by single-crystal X-ray structure analysis and quantum-mechanical investigations with density functional theory and MP2 methods.
Keywords:Ab initio calculations  Chelates  Density functional calculations  Lanthanides  Phosphanamides
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