Abstract Understanding the bonding of gold(I) species has been central to the development of gold(I) catalysis. Herein, we present the synthesis and characterization of the first gold(I)‐cyclobutadiene complex, accompanied with bonding analysis by state‐of‐the‐art energy decomposition analysis methods. Analysis of possible coordination modes for the new species not only confirms established characteristics of gold(I) bonding, but also suggests that Pauli repulsion is a key yet hitherto overlooked element. Additionally, we obtain a new perspective on gold(I)‐bonding by comparison of the gold(I)‐cyclobutadiene to congeners stabilized by p‐, d‐, and f‐block metals. Consequently, we refine the gold(I) bonding model, with a delicate interplay of Pauli repulsion and charge transfer as the key driving force for various coordination motifs. Pauli repulsion is similarly determined as a significant interaction in AuI‐alkyne species, corroborating this revised understanding of AuIbonding.
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Gold-Catalyzed N -Alkenylation of Isoxazolines and the Use of Alkenyl Gold Intermediates in the Synthesis of 2-Amino-1-pyrrolines
- Award ID(s):
- 2154384
- PAR ID:
- 10517483
- Publisher / Repository:
- ACS Catalysis - ACS Publications
- Date Published:
- Journal Name:
- ACS Catalysis
- Volume:
- 14
- Issue:
- 4
- ISSN:
- 2155-5435
- Page Range / eLocation ID:
- 2229 to 2234
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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