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

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

SUBMITTER: Di Muzio S 

PROVIDER: S-EPMC11547753 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature