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Structural Features of [(CpPPh 2 AuCl) 2 ZrCl 2 ]: Exploring the Limits of Aurophilic Interactions
Author(s) -
Moriya Makoto,
Fröhlich Roland,
Kehr Gerald,
Erker Gerhard,
Grimme Stefan
Publication year - 2008
Publication title -
chemistry – an asian journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.18
H-Index - 106
eISSN - 1861-471X
pISSN - 1861-4728
DOI - 10.1002/asia.200700353
Subject(s) - bent molecular geometry , wedge (geometry) , chemistry , non covalent interactions , metallocene , molar ratio , crystallography , quantum chemical , molecule , computational chemistry , catalysis , polymerization , physics , organic chemistry , hydrogen bond , optics , polymer
The reaction of [(CpPPh 2 ) 2 ZrCl 2 ] ( 1 a ) with two molar equivalents of (Me 2 S)AuCl gave the trimetallic complex [(CpPPh 2 AuCl) 2 ZrCl 2 ] ( 6 ). Crystalline complex 6 shows a conformational structure that features both PAuCl vectors oriented toward the open front side of the bent metallocene wedge. Quantum‐chemical calculations rationalized the absence of an aurophilic Au⋅⋅⋅Au interaction in 6 by showing that a combination of noncovalent forces overcompensates any possible attractive Au⋅⋅⋅Au interaction.
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