Journal article
Local Order Disorder Transition Driving by Structural Heterogeneity in a Benzyl Functionalized Ionic Liquid
The journal of physical chemistry. B, v 121(42), pp 9902-9909
26 Oct 2017
PMID: 28968103
Abstract
A local order disorder transition has been disclosed in the thermophysical behavior of the ionic liquid 1-benzyl-3-methylimidazolium dicyanamide, [Bzmim] [N-(CN)(2)], and its microscopic nature revealed by spectroscopic techniques. Differential scanning calorimetry and specific heat measurements show a thermal event of small enthalpy variation taking place in the range 250-260 K, which is not due to crystallization or melting. Molecular dynamic simulations and X-ray diffraction measurements have been used to discuss the segregation of domains in the liquid structure of [Bzmim][N(CN)(2)] Raman and NMR spectroscopy measurements as a function of temperature indicate that the microscopic origin of the event observed in the calorimetric measurements comes from structural rearrangement involving the benzyl group. The results indicate that the characteristic structural heterogeneity allow for rearrangements within local domains implying the good glass-forming ability for the low viscosity ionic liquid [Bzmim] [N(CN)(2)]. This work sheds light on our understanding of the microscopic origin behind complex thermal behavior of ionic liquids.
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Details
- Title
- Local Order Disorder Transition Driving by Structural Heterogeneity in a Benzyl Functionalized Ionic Liquid
- Creators
- Luiz F. O. Faria - Universidade de São PauloVitor H. Paschoal - Universidade de São PauloThamires A. Lima - Universidade de São PauloFabio F. Ferreira - Universidade Federal do ABCRafael S. Freitas - Universidade de São PauloMauro C. C. Ribeiro - Universidade de São Paulo
- Publication Details
- The journal of physical chemistry. B, v 121(42), pp 9902-9909
- Publisher
- American Chemical Society; Washington, DC
- Number of pages
- 8
- Grant note
- 2015/05803-0; 2014/15049-8; 2012/13119-3 / FAPESP; Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP) 402289/2013-7 / CNPq; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPQ)
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemical and Biological Engineering
- Web of Science ID
- WOS:000414114600015
- Scopus ID
- 2-s2.0-85032643509
- Other Identifier
- 991019299004604721
InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Chemistry, Physical