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[Ru(Ph)(CO)(P t Bu 2 Me) 2 ] + : A Unique 14‐Electron Ru 11 Complex with Two Agostic Interactions
Author(s) -
Huang Dejian,
Streib William E.,
Eisenstein Odile,
Caulton Kenneth G.
Publication year - 1997
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199720041
Subject(s) - agostic interaction , density functional theory , counterion , chemistry , crystallography , center (category theory) , ruthenium , electron , crystal structure , electron density , ion , stereochemistry , physics , computational chemistry , catalysis , quantum mechanics , organic chemistry , metal , biochemistry
A nonplanar arrangement of four ligands is intrinsic to the title compound is solution and in the crystal. There is no interaction between the Ru center and the Counterion [3,5‐(CF 3 ) 2 C 6 H 3 ] 4 B − . Density functional theory calculations of the model complex [Ru(Ph)(CO)(PH 3 ) 2 ] + provided the structure shown on the right, which shows no ortho ‐CH … Ru interaction.