On the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different origin
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F24%3A00600939" target="_blank" >RIV/61388955:_____/24:00600939 - isvavai.cz</a>
Alternative codes found
RIV/61388963:_____/24:00600939 RIV/61989100:27740/24:10256719
Result on the web
<a href="https://doi.org/10.1038/s42004-024-01334-9" target="_blank" >https://doi.org/10.1038/s42004-024-01334-9</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1038/s42004-024-01334-9" target="_blank" >10.1038/s42004-024-01334-9</a>
Alternative languages
Result language
angličtina
Original language name
On the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different origin
Original language description
Previously studied complexes with protonic and hydridic hydrogen bonds exhibit significant similarities. The present study provides a detailed investigation of the structure, stabilization, electronic properties, and spectral characteristics of protonic and hydridic hydrogen bonds using low-temperature infrared (IR) spectroscopy and computational methods. Complexes of pentafluorobenzene with ammonia (C₆F₅H⋯NH₃) and triethylgermane with trifluoroiodomethane (Et₃GeH⋯ICF₃) were analyzed using both experimental and computational tools. Additionally, 30 complexes with protonic hydrogen bonds and 30 complexes with hydridic hydrogen bonds were studied computationally. Our findings reveal that, despite the opposite atomic charges on the hydrogens in these hydrogen bonds, and consequently the opposite directions of electron transfer in protonic and hydridic hydrogen bonds, their spectral manifestations - specifically, the red shifts in the X–H stretching frequency and the increase in intensity - are remarkably similar. The study also discusses the limitations of the current IUPAC definition of hydrogen bonding in covering both types of H-bonds and suggests a way to overcome these limitations.
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
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Communications Chemistry
ISSN
2399-3669
e-ISSN
2399-3669
Volume of the periodical
7
Issue of the periodical within the volume
November
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
254
UT code for WoS article
001351539300001
EID of the result in the Scopus database
2-s2.0-85208971646