Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 24, Issue 23, Pages 6047-6051Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201800755
Keywords
coinage metals; density functional calculations; gold; pincer complexes; relativistic effects
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Funding
- Alexander-von-Humboldt Foundation (Bonn, Germany)
- Studienstiftung des Deutschen Volkes (Bonn, Germany)
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Quantum theoretical studies show that the extremely high proton affinity at the metal center of the unusual T-shaped (LXL)Au-I-pincer complex, consisting of a carbazole framework and two mesoionic carbenes, is caused by relativistic effects. This brings the basicity of the Au-I center in line with the electron-rich nitrogen atom of the carbazole ring system, resulting in one of the highest proton affinities for a neutral molecule.
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