Can Copper(I) and Silver(I) be Hydrogen Bond Acceptors?
Erik Andris1, Michal Straka1, Jan Vrána2
1Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Flemingovo náměstí 2, 16610, Praha 6, Czech Republic.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|February 22, 2023
Summary
This study investigates hydrogen bonding in gold, silver, and copper complexes. Gold(I) forms Au⋅⋅⋅H bonds, but silver(I) and copper(I) interactions are weaker, forming Cl⋅⋅⋅H bonds instead, unless specific ligands are used.
Area of Science:
- Inorganic Chemistry
- Supramolecular Chemistry
- Computational Chemistry
Background:
- Gold(I) centers are known to form hydrogen bonds with tertiary ammonium groups.
- Similar interactions involving isoelectronic silver(I) or copper(I) centers have not been previously documented.
Purpose of the Study:
- To investigate the influence of halogens on the strength of gold-hydrogen bonds.
- To explore the potential for silver(I) and copper(I) to form analogous hydrogen bonds.
- To identify conditions under which silver- and copper-hydrogen bonds can be experimentally verified.
Main Methods:
- Gas-phase infrared (IR) spectroscopy was used to analyze the hydrogen bonding interactions.
- Density Functional Theory (DFT) calculations were employed to understand the electronic and structural properties of the complexes.
- Comparison of spectral data for gold(I), silver(I), and copper(I) complexes with varying ligands and halogens.
Main Results:
- Replacing chloride with bromide or iodide had a minimal effect on the gold-hydrogen bond strength.
- Silver(I) and copper(I) complexes with a specific triazol-ylidene ligand primarily exhibited chloride-hydrogen bonds, not metal-hydrogen bonds.
- DFT calculations suggest that silver(I) and copper(I) can form significant metal-hydrogen bonds with less flexible phosphine ligands.
Conclusions:
- The strength of metal-hydrogen bonds in these complexes is highly dependent on the metal center and the ligand environment.
- Further experimental studies are proposed to confirm the presence of silver- and copper-hydrogen bonds in specifically designed complexes.
- This research expands the understanding of non-covalent interactions involving coinage metals.
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