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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
Chemistry - A European Journal ( IF 4.3 ) Pub Date : 2018-03-27 , DOI: 10.1002/chem.201800755
Paul Jerabek 1 , Lisa Vondung 2 , Peter Schwerdtfeger 1
Affiliation  

Quantum theoretical studies show that the extremely high proton affinity at the metal center of the unusual T‐shaped (LXL)AuI–pincer complex, consisting of a carbazole framework and two mesoionic carbenes, is caused by relativistic effects. This brings the basicity of the AuI 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.

中文翻译:

由于相对论效应,使配体和金属质子化之间的平衡达到平衡:Gold(I)钳形配合物中的质子亲和力异常高

量子理论研究表明,由相对论效应引起的异常T形(LXL)Au I-钳子配合物的金属中心极高的质子亲和力,该配合物由咔唑骨架和两个中离子碳烯组成。这使Au I中心的碱性与咔唑环系统的富电子氮原子一致,从而成为中性分子的最高质子亲合力之一。
更新日期:2018-03-27
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