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Publication details

Document type
Journal articles

Document subtype
Full paper

Title
Structure–property relationships in protic ionic liquids: a thermochemical study

Participants in the publication
Joshua E. S. J. Reid (Author)
Filipe Agapito (Author)
Carlos E. S. Bernardes (Author)
Dep. Química e Bioquímica
Dep. Química e Bioquímica
CQB - Centro de Química e Bioquímica 
Filomena Martins (Author)
Dep. Química e Bioquímica
CQB - Centro de Química e Bioquímica 
Adam J. Walker (Author)
Seishi Shimizu (Author)
Manuel E. Minas da Piedade (Author)
Dep. Química e Bioquímica
CQB - Centro de Química e Bioquímica 

Scope
International

Refereeing
Yes

Summary
How does cation functionality influence the strength of intermolecular interactions in protic ionic liquids (PILs)? Quantifying the energetics of PILs can be an invaluable tool to answer this fundamental question. With this in view, we have determined the standard molar enthalpy of vaporization, delta vap Hºm, and the standard molar enthalpy of formation, delta f Hºm, of three tertiary ammonium acetate PILs with varying cation functionality, and of their corresponding precursor amines, through a combination of Calvet-drop microcalorimetry, solution calorimetry, and ab initio calculations. The obtained results suggest that these PILs vaporize as their neutral acid and base precursors. We also found a strong correlation between delta vap Hºm of the PILs and of their corresponding amines. This suggests that, within this series of PILs, the influence of cation modification on their cohesive energies follows a group additivity rule. Finally, no correlation between the delta vap Hºm of PILs and the extent of proton transfer, as estimated from the difference in aqueous pKa between the precursor acid and the conjugate acid of the precursor base, was observed

Date of Submisson/Request
2017-04-06
Date of Acceptance
2017-07-10
Date of Publication
2017-07-10

Institution
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA

Where published
Physical Chemistry Chemical Physics

Publication Identifiers
ISSN - 1463-9076

Publisher
Royal Society of Chemistry (RSC)

Volume
19
Number
30

Number of pages
9
Starting page
19928
Last page
19936

Document Identifiers
DOI - https://doi.org/10.1039/c7cp02230a
URL - http://dx.doi.org/10.1039/c7cp02230a

Rankings
SCOPUS Q1 (2017) - 1.686 - Physical and Theoretical Chemistry
Web Of Science Q2 (2017) - 3.906 - CHEMISTRY, PHYSICAL - SCIE
Web Of Science Q1 (2017) - 3.906 - PHYSICS, ATOMIC, MOLECULAR & CHEMICAL - SCIE
SCIMAGO Q1 (2017) - 1.686 - Physical and Theoretical Chemistry


Export

APA
Joshua E. S. J. Reid, Filipe Agapito, Carlos E. S. Bernardes, Filomena Martins, Adam J. Walker, Seishi Shimizu, Manuel E. Minas da Piedade, (2017). Structure–property relationships in protic ionic liquids: a thermochemical study. Physical Chemistry Chemical Physics, 19, 19928-19936. ISSN 1463-9076. eISSN . http://dx.doi.org/10.1039/c7cp02230a

IEEE
Joshua E. S. J. Reid, Filipe Agapito, Carlos E. S. Bernardes, Filomena Martins, Adam J. Walker, Seishi Shimizu, Manuel E. Minas da Piedade, "Structure–property relationships in protic ionic liquids: a thermochemical study" in Physical Chemistry Chemical Physics, vol. 19, pp. 19928-19936, 2017. 10.1039/c7cp02230a

BIBTEX
@article{36333, author = {Joshua E. S. J. Reid and Filipe Agapito and Carlos E. S. Bernardes and Filomena Martins and Adam J. Walker and Seishi Shimizu and Manuel E. Minas da Piedade}, title = {Structure–property relationships in protic ionic liquids: a thermochemical study}, journal = {Physical Chemistry Chemical Physics}, year = 2017, pages = {19928-19936}, volume = 19 }