Can Silver(I) Act as a Hydrogen-Bond Acceptor? Spectroscopic and Computational Exploration of the Ag···H+ Bonds in the Gas Phase and in Solvent
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F25%3A00643661" target="_blank" >RIV/61388963:_____/25:00643661 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1021/acs.inorgchem.5c03415" target="_blank" >https://doi.org/10.1021/acs.inorgchem.5c03415</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.inorgchem.5c03415" target="_blank" >10.1021/acs.inorgchem.5c03415</a>
Alternative languages
Result language
angličtina
Original language name
Can Silver(I) Act as a Hydrogen-Bond Acceptor? Spectroscopic and Computational Exploration of the Ag···H+ Bonds in the Gas Phase and in Solvent
Original language description
Recent experiments highlighted the significance of Au(I)···H interactions in the structures of Au(I)-containing materials as well as in catalysis. However, they also raised the important question of whether similar interactions could be observed for Ag(I) and Cu(I) analogues of Au(I). Herein, we present experimental and computational evidence for the formation of hydrogen bonds between the Ag(I) center and the dimethylammonium group of protonated bis(1-adamantyl)(2-(dimethylamino)phenyl)phosphine ligand (1). We support this in the gas phase by employing infrared (IR) photodissociation spectroscopy correlated with quantum chemical (QC) computations. For the Ag(I) complex (1AgCl2H) in solution, we show by correlating the nuclear magnetic resonance data and QC calculations that the formation of the Ag(I)···H bond competes with the formation of the Cl···H bond depending on the polarity of the environment. We evaluated interaction energies between the dimethylammonium group and the central metal across the coinage metal series (Au/Ag/Cu) using the relativistic CCSD(T) method. Furthermore, employing wave function analysis, we gained qualitative insight into Au/Ag/Cu···H bonding at the electronic level. The definition of Ag(I)···H interactions thus extends horizons in silver(I) chemistry.
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
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GA25-15887S" target="_blank" >GA25-15887S: The magnetic and bonding properties of metallaboranes as a function of bonded metal cations: An interplay between the theory and experiment</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Inorganic Chemistry
ISSN
0020-1669
e-ISSN
1520-510X
Volume of the periodical
64
Issue of the periodical within the volume
50
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
24411-24422
UT code for WoS article
001634111800001
EID of the result in the Scopus database
2-s2.0-105025201626