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Tipping the Balance between Ligand and Metal Protonation due to Relativistic Effects: Unusually High Proton Affinity in Gold(I) Pincer Complexes
Author(s) -
Jerabek Paul,
Vondung Lisa,
Schwerdtfeger Peter
Publication year - 2018
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.201800755
Subject(s) - protonation , pincer ligand , pincer movement , chemistry , proton , carbazole , ligand (biochemistry) , proton affinity , mesoionic , metal , ring (chemistry) , molecule , crystallography , photochemistry , stereochemistry , computational chemistry , medicinal chemistry , physics , organic chemistry , ion , biochemistry , receptor , quantum mechanics , catalysis
Abstract 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.