Can Copper(I) and Silver(I) be Hydrogen Bond Acceptors?
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F23%3A00568888" target="_blank" >RIV/61388963:_____/23:00568888 - isvavai.cz</a>
Alternative codes found
RIV/00216275:25310/23:39921083
Result on the web
<a href="https://doi.org/10.1002/chem.202203769" target="_blank" >https://doi.org/10.1002/chem.202203769</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/chem.202203769" target="_blank" >10.1002/chem.202203769</a>
Alternative languages
Result language
angličtina
Original language name
Can Copper(I) and Silver(I) be Hydrogen Bond Acceptors?
Original language description
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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GA21-02964S" target="_blank" >GA21-02964S: Nitrogen Ligands for Main-Group Elements - Becoming Bulkier, More Conjugated and Guilty</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemistry - A European Journal
ISSN
0947-6539
e-ISSN
1521-3765
Volume of the periodical
29
Issue of the periodical within the volume
26
Country of publishing house
DE - GERMANY
Number of pages
9
Pages from-to
e202203769
UT code for WoS article
000951894400001
EID of the result in the Scopus database
2-s2.0-85150623677