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Can the presence of a fluorine-containing functional group in eutectic mixtures indeed bring fluorous affinity for fluorotelomer alcohol?

Authors :
Fan, Chen
Deng, Wanlin
Cheng, Linru
Source :
New Journal of Chemistry. 2/28/2024, Vol. 48 Issue 8, p3347-3351. 5p.
Publication Year :
2024

Abstract

We focus on deep eutectic solvents (DESs) and investigate their potential for perfluoroalkyl substance (PFAS) remediation through ab initio molecular dynamics (AIMD) simulations and quantum chemistry calculations. The binding energy, the bond relative orientation, and the free state of fluorinated functional molecules in DES affects the F⋯F interactions. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
11440546
Volume :
48
Issue :
8
Database :
Academic Search Index
Journal :
New Journal of Chemistry
Publication Type :
Academic Journal
Accession number :
175525046
Full Text :
https://doi.org/10.1039/d3nj05762c