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Nb and Ta Adducts: Connecting d 0 Metal Chlorides and Phosphorus Sulfide Cages
Author(s) -
Hoppe Diana,
Schemmel Dominik,
Schütz Martin,
Pfitzner Arno
Publication year - 2009
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200900370
Subject(s) - adduct , chemistry , transition metal , bond length , metal , crystallography , sulfide , phosphorus , crystal structure , stereochemistry , organic chemistry , catalysis
Phosphorus sulfide cages α‐P 4 S 4 , α‐P 4 S 5 , β‐P 4 S 5 , and β‐P 4 S 6 and transition‐metal chlorides TaCl 5 and NbCl 5 form molecular adducts in CS 2 / n ‐hexane. The crystal structures of the adducts (TaCl 5 )(α‐P 4 S 4 ), (TaCl 5 )(α‐P 4 S 5 ), (TaCl 5 )(β‐P 4 S 5 ), (NbCl 5 )(β‐P 4 S 5 ), and (TaCl 5 )(β‐P 4 S 6 ) are reported and their conformation and energetic stability are discussed on the basis of ab initio electronic structure calculations. Furthermore bond lengths of coordinated and noncoordinated phosphorus sulfide cages obtained from experiment and theory are compared, emphasizing the changes within the cages that emerge upon coordination.