What a difference a methyl group makes - probing choline-urea molecular interactions through urea structure modification
authors Silva, LP; Araujo, CF; Abranches, DO; Melle-Franco, M; Martins, MAR; Nolasco, MM; Ribeiro-Claro, PJA; Pinho, SP; Coutinho, JAP
nationality International
journal PHYSICAL CHEMISTRY CHEMICAL PHYSICS
keywords DEEP-EUTECTIC SOLVENTS; VIBRATIONAL ANALYSIS; CHLORIDE; TEMPERATURE; DYNAMICS; FUSION; GAS; SOLUBILITY; TOXICITY; GRADIENT
abstract There is a lack of fundamental knowledge on deep eutectic solvents, even for the most extensively studied mixtures, such as the mixture of cholinium chloride and urea, which prevents a judicious choice of components to prepare new solvents. The objective of this work is to study and understand the fundamental interactions between cholinium chloride and urea that lead to the experimentally observed melting temperature depression. To do so, the structure of urea was strategically and progressively modified, in order to block certain interaction centres, and the solid-liquid equilibrium data of each new binary system was experimentally measured. Using this approach, it was concluded that the most important interaction between cholinium chloride and urea occurs through hydrogen bonding between the chloride anion and the amine groups. Any blockage of these groups severely hampers the melting point depression effect. Raman spectroscopy and DFT calculations were utilized to study in more detail this hydrogen bonding and its nuances.
publisher ROYAL SOC CHEMISTRY
issn 1463-9076
year published 2019
volume 21
issue 33
beginning page 18278
ending page 18289
digital object identifier (doi) 10.1039/c9cp03552d
web of science category Chemistry, Physical; Physics, Atomic, Molecular & Chemical
subject category Chemistry; Physics
unique article identifier WOS:000482471400026
  ciceco authors
  impact metrics
journal analysis (jcr 2017):
journal impact factor 3.906
5 year journal impact factor 4.224
category normalized journal impact factor percentile 73.037
dimensions (citation analysis):
altmetrics (social interaction):



 


Apoio

1suponsers_list_ciceco.jpg