The Elusive Au(I)···H-O Hydrogen Bond: Experimental Verification

Area of Science:

• Organometallic Chemistry
• Supramolecular Chemistry
• Chemical Bonding

Background:

• Investigating atypical bonding scenarios involving metal centers.
• Focus on gold(I) complexes and their interactions with hydroxyl functionalities.

Purpose of the Study:

• Synthesize and characterize novel gold(I) indazol-3-ylidene complexes.
• Elucidate the nature of the interaction between gold(I) and hydroxyl groups.

Main Methods:

• Synthesis of neutral gold(I) complexes with carbinol or silanol groups.
• Characterization using X-ray diffraction, NMR spectroscopy, and IR spectroscopy.
• Computational modeling to analyze bonding interactions.

Main Results:

• Successful synthesis of two neutral gold(I) indazol-3-ylidene complexes.
• Confirmation of a bona fide Au···H-O interaction via experimental and computational data.
• Demonstration that increased OH acidity does not always enhance Au(I)···H-O bond stability.

Conclusions:

• Shed light on the elusive Au···H-O bonding situation.
• Provide a deeper understanding of non-covalent interactions in organometallic complexes.
• Suggest that optimizing Au(I)···H-O interactions requires careful consideration beyond simple acidity.