Structural transitions of 1-butyl-3-methylimidazolium chloride/water mixtures studied by Raman and FTIR spectroscopy and WAXS
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F16%3A00458444" target="_blank" >RIV/61389013:_____/16:00458444 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/acs.cgd.5b01551" target="_blank" >http://dx.doi.org/10.1021/acs.cgd.5b01551</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.cgd.5b01551" target="_blank" >10.1021/acs.cgd.5b01551</a>
Alternative languages
Result language
angličtina
Original language name
Structural transitions of 1-butyl-3-methylimidazolium chloride/water mixtures studied by Raman and FTIR spectroscopy and WAXS
Original language description
Ionic liquid 1-butyl-3-methylimidazolium chloride (bmimCl) and its water mixtures were subjected to the temperature of 25 °C for various periods of time and then investigated by Raman and FTIR spectroscopy and WAXS. Neat bmimCl crystallized in a monoclinic lattice denoted M0. During a phase separation in samples with water concentrations of 0.44 and 2.90 wt %, a metastable monoclinic form denoted M was detected that was later converted into the monoclinic form M0 (0.44 wt %) or into an orthorhombic form (2.90 wt %). The form M existed only due to stresses imposed by hydrodynamic phenomena during the phase separation. According to Raman spectroscopy, the conformation of the butyl group in the bmim cation was identified as gauche–anti for the form M0 and as anti–anti for the orthorhombic form. Capillary forces and H-bonding affected the resultant conformation after the liquid–solid and solid–solid transitions. The ATR FTIR spectra in combination with DFT calculations unveiled further changes in the strength of hydrogen bonds between anion, cation, and water.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CD - Macromolecular chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GAP108%2F12%2F0703" target="_blank" >GAP108/12/0703: Cellulose-based biodegradable nanocomposite materials prepared in ionic liquids</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Crystal Growth & Design
ISSN
1528-7483
e-ISSN
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Volume of the periodical
16
Issue of the periodical within the volume
4
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
1958-1967
UT code for WoS article
000373747700023
EID of the result in the Scopus database
2-s2.0-84964573472