Structural transitions of 1-butyl-3-methylimidazolium chloride/water mixtures studied by Raman and FTIR spectroscopy and WAXS

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Structural transitions of 1-butyl-3-methylimidazolium chloride/water mixtures studied by Raman and FTIR spectroscopy and WAXS

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Structural transitions of 1-butyl-3-methylimidazolium chloride/water mixtures studied by Raman and FTIR spectroscopy and WAXS

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CD - Makromolekulární chemie

OECD FORD obor

—

Projekt

<a href="/cs/project/GAP108%2F12%2F0703" target="_blank" >GAP108/12/0703: Biodegradovatelné nanokompozitní materiály na bázi celulózy připravené v iontových kapalinách</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2016

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Crystal Growth & Design

ISSN

1528-7483

e-ISSN

—

Svazek periodika

16

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

1958-1967

Kód UT WoS článku

000373747700023

EID výsledku v databázi Scopus

2-s2.0-84964573472