Tipping the Balance between Ligand and Metal Protonation due to Relativistic Effects: Unusually High Proton Affinity in Gold(I) Pincer Complexes | Zendy

Jerabek Paul | Zendy; Vondung Lisa | Zendy; Schwerdtfeger Peter | Zendy

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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

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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