Structural Features of [(CpPPh2AuCl)2ZrCl2]: Exploring the Limits of Aurophilic Interactions |
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| Authors: | Makoto Moriya Dr. Roland Fröhlich Dr. Gerald Kehr Dr. Gerhard Erker Prof. Dr. Stefan Grimme Prof. Dr. |
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| Affiliation: | Organisch‐Chemisches Institut, Universit?t Münster, Corrensstrasse 40, 48149 Münster, Germany |
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| Abstract: | The reaction of [(CpPPh2)2ZrCl2] ( 1 a ) with two molar equivalents of (Me2S)AuCl gave the trimetallic complex [(CpPPh2AuCl)2ZrCl2] ( 6 ). Crystalline complex 6 shows a conformational structure that features both P? Au? Cl 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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| Keywords: | conformation analysis gold metallocenes metal– metal interactions zirconium |
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