Hydrogen bonding of trialkyl-substituted urea in organic environment
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F25%3A00619178" target="_blank" >RIV/61389013:_____/25:00619178 - isvavai.cz</a>
Result on the web
<a href="https://www.mdpi.com/1420-3049/30/7/1410" target="_blank" >https://www.mdpi.com/1420-3049/30/7/1410</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3390/molecules30071410" target="_blank" >10.3390/molecules30071410</a>
Alternative languages
Result language
angličtina
Original language name
Hydrogen bonding of trialkyl-substituted urea in organic environment
Original language description
Urea groups appear in many biomolecules and polymers. They have a significant impact on the properties of the materials because of their inherent strength and for their ability to participate in hydrogen bonds. Typically, in classical urea-based polymer materials, the urea groups occur in their N,N′-disubstituted state. Recently, bis-aspartates have been introduced as a novel type of hindered amine resins providing, upon crosslinking with (poly)isocyanates, the polyurea–polyaspartate thermosets (PU-ASPE) for coatings, sealants, polyelectrolytes, and other applications. These materials contain N,N′N′-trisubstituted urea linkages in their structures. However, the infrared (IR) characterization of trisubstituted urea groups has not been documented in sufficient detail. Consequently, studies on the structure of aspartate-based polyurea materials often rely on data from N,N′-disubstituted ureas, which can lead to inaccurate conclusions. This study presents a detailed evaluation of the possible urea H-bonding states, focusing on the difference between the di- and trisubstituted species. Particularly, the attributions of the IR spectra to urea-based hydrogen bonding states are presented both in neat materials and their solutions. To systematize this study, we initially focus on a simple trisubstituted urea model system, tributyl urea (3BUA), and compare its spectral response with disubstituted N-butyl-N′-cyclohexyl urea (1B1CHUA) and trisubstituted N-butyl-N′,N′-dicyclohexyl urea (1B2CHUA), to elucidate their hydrogen-bonding fingerprints. This research provides a thorough understanding of the IR response of the di- and trisubstituted urea species and their structural characteristics in urea-containing materials.
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
10401 - Organic chemistry
Result continuities
Project
<a href="/en/project/EH22_008%2F0004607" target="_blank" >EH22_008/0004607: New Technologies for Translational Research in Pharmaceutical Sciences /NETPHARM</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
Molecules
ISSN
1420-3049
e-ISSN
1420-3049
Volume of the periodical
30
Issue of the periodical within the volume
7
Country of publishing house
CH - SWITZERLAND
Number of pages
15
Pages from-to
1410
UT code for WoS article
001463943500001
EID of the result in the Scopus database
2-s2.0-105002402022