Complementing Crystallography with Ultralow-Frequency Raman Spectroscopy: Structural Insights into Nitrile-Functionalized Ionic Liquids

Hong-Kai Chen, Srivastava Nitin, Saha Satyen, Shinsuke Shigeto

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

Functionalized ionic liquids are a subclass of ionic liquids that are tailored for a specific application. Structural characterization in both solid and liquid phases is central to understanding their physical properties. Here, we used ultralow-frequency Raman spectroscopy, which can measure Raman spectra down to approximately 5cm(-1), to study the structures and physical properties of 1-(4-cyanobenzyl)-3-methylimidazolium salts with five different anions. A comparison of the observed low-frequency Raman spectral patterns enabled us to predict the crystal symmetry of one of the synthesized salts for which single-crystal X-ray diffraction data were unobtainable. Real-time tracking of the low-frequency Raman spectral changes during melting revealed peak shifts indicative of different degrees of microscopic heterogeneity in the ionic liquids. The results show that our method provides a facile means that is complementary to X-ray crystallography, for obtaining structural information of ionic liquids.
Original languageEnglish
Pages (from-to)93-97
Number of pages5
JournalChemPhysChem
Volume17
Issue number1
DOIs
StatePublished - 4 Jan 2016

Keywords

  • ionic liquids; melting points; microheterogeneity; solid-state structures; vibrational spectroscopy
  • MOLECULAR-DYNAMICS SIMULATIONS; HYDROGEN-BONDS; PHYSICAL-PROPERTIES; IN-SITU; SOLVENTS; CATION; HETEROGENEITY; POLYMORPHS; PYRIDINIUM; POINT

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