Evidence map›Paper›PMID 39519734›Full record

ArticleMolecules (Basel, Switzerland)2024

Conformational Geometry Matters: The Case of the Low-Melting-Point Systems of Tetrabutylammonium Triflate with Fumaric or Maleic Acid.

Simone Di Muzio, Fabio Ramondo, Oriele Palumbo, Francesco Trequattrini, Pascale Roy, Jean-Blaise Brubach, Annalisa Paolone

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

What it found

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2 · The registry

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3 · Its place in the literature

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4 · The record

Corrections and comments

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5 · Who and what money

Authors and funding

7 authors.

Simone Di MuzioIstituto dei Sistemi Complessi, Consiglio Nazionale delle Ricerche, UOS La Sapienza, Piazzale Aldo Moro 5, 00185 Rome, Italy.ORCID 0000-0001-5960-2987
Fabio RamondoDepartment of Chemistry, Sapienza Università di Roma, Piazzale Aldo Moro 5, 00185 Rome, Italy.
Oriele PalumboIstituto dei Sistemi Complessi, Consiglio Nazionale delle Ricerche, UOS La Sapienza, Piazzale Aldo Moro 5, 00185 Rome, Italy.ORCID 0000-0003-4968-1049
Francesco TrequattriniIstituto dei Sistemi Complessi, Consiglio Nazionale delle Ricerche, UOS La Sapienza, Piazzale Aldo Moro 5, 00185 Rome, Italy.ORCID 0000-0002-6521-7441
Pascale RoySynchrotron SOLEIL, L'Orme des Merisiers, Départementale 128, 91190 Saint-Aubin, France.
Jean-Blaise BrubachSynchrotron SOLEIL, L'Orme des Merisiers, Départementale 128, 91190 Saint-Aubin, France.
Annalisa PaoloneIstituto dei Sistemi Complessi, Consiglio Nazionale delle Ricerche, UOS La Sapienza, Piazzale Aldo Moro 5, 00185 Rome, Italy.ORCID 0000-0002-4839-7815

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

For this article, the interaction of tetrabutylammonium trifluoromethanesulfonate (TBATFO) with either fumaric (FUM) or maleic (MAL) acid has been investigated. These acids are isomers and can be considered the trans and cis configurations of the same molecular geometry. When TBATFO is mixed with FUM, an eutectic point is obtained for a relative composition of 90-10 (molar ratio), with a melting point of ≈90 °C. If maleic acid is mixed with TBATFO, one obtains an inhomogeneous phase with the retention of a solid portion immersed in a liquid phase, even above 90 °C. DFT calculations helped to model the interaction between the components. It is suggested herein that TBATFO interacts more strongly with FUM than with MAL, due to possible interactions in two different sites for hydrogen bonding (HB) in FUM. In MAL, one of the HB sites is instead retained in the intramolecular interactions; therefore, fewer sites are available for intermolecular interactions. Infrared spectroscopy measurements have confirmed this scenario, in which the hydrogen bonds of the acid molecules are replaced by HB between the acid and the ionic couple: for both kinds of mixtures, the vibration region of the OH bonds is strongly affected by mixing. However, in the case of FUM, the vibrations of the SO

Indexed as

density functional theoryhydrogen bondinginfrared spectroscopylow-melting-point systems

Identifiers

PMID39519734
PMCPMC11547753

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