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Can Copper(I) and Silver(I) be Hydrogen Bond Acceptors?
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SYSNO ASEP 0568888 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Can Copper(I) and Silver(I) be Hydrogen Bond Acceptors? Author(s) Andris, Erik (UOCHB-X) ORCID
Straka, Michal (UOCHB-X) RID, ORCID
Vrána, J. (CZ)
Růžička, A. (CZ)
Roithová, J. (NL)
Rulíšek, Lubomír (UOCHB-X) RID, ORCIDArticle number e202203769 Source Title Chemistry - A European Journal. - : Wiley - ISSN 0947-6539
Roč. 29, č. 26 (2023)Number of pages 9 s. Language eng - English Country DE - Germany Keywords copper ; density functional calculations ; gold ; hydrogen bond ; ion spectroscopy ; IR spectroscopy ; silver OECD category Physical chemistry Research Infrastructure e-INFRA CZ - 90140 - CESNET, zájmové sdružení právnických osob Method of publishing Open access Institutional support UOCHB-X - RVO:61388963 UT WOS 000951894400001 EID SCOPUS 85150623677 DOI 10.1002/chem.202203769 Annotation Gold(I) centers can form moderately strong (Au⋅⋅⋅H) hydrogen bonds with tertiary ammonium groups, as has been demonstrated in the 3AuCl+ (3+=1-(tert-butyl)-3-phenyl-4-(2-((dimethylammonio)methyl)phenyl)-1,2,4-triazol-5-ylidene) complex. However, similar hydrogen bonding interactions with isoelectronic silver(I) or copper(I) centers are unknown. Herein, we first explored whether the Au⋅⋅⋅H bond originally observed in 3AuCl+ can be strengthened by replacing Cl with Br or I. Experimental gas-phase IR spectra in the ∼3000 cm−1 region showed only a small effect of the halogen on the Au⋅⋅⋅H bond. Next, we measured the spectra of 3AgCl+, which exhibited significant differences compared to its 3AuX+ counterparts. The difference has been explained by DFT calculations which indicated that the Ag⋅⋅⋅H interaction is only marginal in this complex, and a Cl⋅⋅⋅H hydrogen bond is formed instead. Calculations predicted the same for the 3CuCl+ complex. However, we noticed that for Ag and Cu complexes with less flexible ligands, such as dimethyl(2-(dimethylammonio)phenyl)phosphine (L7H+), the computations predict the presence of the respective Ag⋅⋅⋅H and Cu⋅⋅⋅H hydrogen bonds, with a strength similar to the Au⋅⋅⋅H bond in 3AuCl+. We, therefore, propose possible complexes where the presence of (Ag/Cu)⋅⋅⋅H bonds could be experimentally verified to broaden our understanding of these unusual interactions. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2024 Electronic address https://doi.org/10.1002/chem.202203769
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