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Ionic liquid structure under high pressure

Grant number: 15/05803-0
Support type:Scholarships in Brazil - Post-Doctorate
Effective date (Start): August 01, 2015
Effective date (End): July 31, 2018
Field of knowledge:Physical Sciences and Mathematics - Chemistry
Cooperation agreement: Coordination of Improvement of Higher Education Personnel (CAPES)
Principal Investigator:Mauro Carlos Costa Ribeiro
Grantee:Luiz Felipe de Oliveira Faria
Home Institution: Instituto de Química (IQ). Universidade de São Paulo (USP). São Paulo , SP, Brazil
Associated research grant:12/13119-3 - Vibrational spectroscopy in condensed phases, AP.TEM

Abstract

The effect of applied pressure in spectroscopy of liquid allows unravelling the repulsive and attractive contributions to the intermolecular potential and to access phase transitions as the counterpart of temperature effects. In our group at IQ-USP we have investigated phase transitions of ionic liquids, either as a function of temperature or pressure, by Raman spectroscopy. In this pos-doc work, we intend to extend this research by using X-ray scattering spectroscopy in order to provide further information to those available by Raman spectroscopy, in particular within the low-frequency range of the Raman spectra of the liquid and crystalline phases or the super-cooled liquid and glass. The ionic liquids to be studied in this work exhibit a rich phenomenology of phase transitions, as crystalline or glassy phases are obtained depending on the rate of changing temperature or pressure. Furthermore, these systems exhibit crystal polymorphism and the metastable liquid, either the supercooled liquid or at high pressure, undergo crystallization as the constraint is released. X-ray diffraction spectra as a function of temperature will be performed in collaboration with Prof. Carlos M. Giles A. de Mayolo, at the Laboratório de Cristalografia Aplicada e Raios-X, UNICAMP. However, X-rays measurements in a diamond anvil cell need a high intensity light source, so that we intend to use the XDS beamline of the Laboratório Nacional de Luz Síncroton (LNLS), which has been granted with funding from FAPESP for experiments under high pressure. Molecular dynamics simulations will provide further data on local ionic arrangement in the ionic liquids. (AU)

Scientific publications (11)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
LIMA, THAMIRES A.; FARIA, LUIZ F. O.; PASCHOAL, VITOR H.; RIBEIRO, MAURO C. C. Exploring the phase diagram of the ionic liquid 1-butyl-1-methylpyrrolidinium bis(trifluoromethanesufonyl)imide. Journal of Molecular Structure, v. 1183, p. 149-156, MAY 5 2019. Web of Science Citations: 1.
FARIA, LUIZ F. O.; NOBREGA, MARCELO M.; FALSINI, NAOMI; FANETTI, SAMUELE; TEMPERINI, MARCIA L. A.; BINI, ROBERTO; RIBEIRO, MAURO C. C. Structure and Reactivity of the Ionic Liquid 1-Allyl-3-methylimidazolium Iodide under High Pressure. Journal of Physical Chemistry B, v. 123, n. 8, p. 1822-1830, FEB 28 2019. Web of Science Citations: 0.
PENNA, TATIANA C.; PASCHOAL, VITOR H.; FARIA, LUIZ F. O.; RIBEIRO, MAURO C. C. Estimating density of ionic liquids under very high pressure. JOURNAL OF MOLECULAR LIQUIDS, v. 265, p. 510-516, SEP 1 2018. Web of Science Citations: 4.
LIMA, THAMIRES A.; FARIA, LUIZ F. O.; PASCHOAL, VITOR H.; RIBEIRO, MAURO C. C. Communication: Glass transition and melting lines of an ionic liquid. Journal of Chemical Physics, v. 148, n. 17 MAY 7 2018. Web of Science Citations: 5.
FARIA, LUIZ F. O.; LIMA, THAMIRES A.; FERREIRA, FABIO F.; RIBEIRO, MAURO C. C. Ultraslow Phase Transitions in an Anion-Anion Hydrogen-Bonded Ionic Liquid. Journal of Physical Chemistry B, v. 122, n. 6, p. 1972-1980, FEB 15 2018. Web of Science Citations: 4.
FARIA, LUIZ F. O.; PASCHOAL, VITOR H.; LIMA, THAMIRES A.; FERREIRA, FABIO F.; FREITAS, RAFAEL S.; RIBEIRO, MAURO C. C. Local Order Disorder Transition Driving by Structural Heterogeneity in a Benzyl Functionalized Ionic Liquid. Journal of Physical Chemistry B, v. 121, n. 42, p. 9902-9909, OCT 26 2017. Web of Science Citations: 2.
FARIA, LUIZ F. O.; LIMA, THAMIRES A.; RIBEIRO, MAURO C. C. Phase Transitions of the Ionic Liquid [C(2)C(1)im][NTf2] under High Pressure: A Synchrotron X-ray Diffraction and Raman Microscopy Study. Crystal Growth & Design, v. 17, n. 10, p. 5384-5392, OCT 2017. Web of Science Citations: 8.
PASCHOAL, VITOR H.; FARIA, LUIZ F. O.; RIBEIRO, MAURO C. C. Vibrational Spectroscopy of Ionic Liquids. CHEMICAL REVIEWS, v. 117, n. 10, SI, p. 7053-7112, MAY 24 2017. Web of Science Citations: 90.
LIMA, THAMIRES A.; PASCHOAL, VITOR H.; FARIA, LUIZ F. O.; RIBEIRO, MAURO C. C. Unraveling the Stepwise Melting of an Ionic Liquid. Journal of Physical Chemistry B, v. 121, n. 17, p. 4650-4655, MAY 4 2017. Web of Science Citations: 4.
VELDHORST, ARNO A.; FARIA, LUIZ F. O.; RIBEIRO, MAURO C. C. Local solvent properties of imidazolium-based ionic liquids. JOURNAL OF MOLECULAR LIQUIDS, v. 223, p. 283-288, NOV 2016. Web of Science Citations: 5.
FARIA, LUIZ F. O.; NOBREGA, MARCELO M.; TEMPERINI, MARCIA L. A.; BINI, ROBERTO; RIBEIRO, MAURO C. C. Triggering the Chemical Instability of an Ionic Liquid under High Pressure. Journal of Physical Chemistry B, v. 120, n. 34, p. 9097-9102, SEP 1 2016. Web of Science Citations: 3.

Please report errors in scientific publications list by writing to: cdi@fapesp.br.