title: Local, solvation pressures and conformational changes in ethylenediamine aqueous solutions probed using Raman spectroscopy.
abstract: Raman spectra of 1,2-ethylenediamine (EDA) in aqueous solutions are used to demonstrate that EDA molecules experience an anti-gauche conformational change resulting from the interactions with water. The observed Raman shift reveals a compressive (hydrophobic) effect of water on both methylene and amino groups of EDA. Raman spectra of EDA at high pressures are used as reference to quantify the intermolecular EDA-H2O interactions in terms of local pressures. These results are compared with macroscopic solvation pressures calculated from the cohesive energy parameter. We compare and discuss all our observations with available computational and experimental studies.
authors.affiliation: MALTA-Consolider Team. Departamento de Química Física I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040-Madrid, Spain. mcaceres@quim.ucm.es.
authors.forename: Mercedes
authors.initials: M
authors.lastname: Cáceres
authors.affiliation: MALTA-Consolider Team. Departamento de Química Física I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040-Madrid, Spain. mcaceres@quim.ucm.es.
authors.forename: Alvaro
authors.initials: A
authors.lastname: Lobato
authors.affiliation: MALTA-Consolider Team. Departamento de Química Física I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040-Madrid, Spain. mcaceres@quim.ucm.es.
authors.forename: Nubia J
authors.initials: NJ
authors.lastname: Mendoza
authors.affiliation: MALTA-Consolider Team. Departamento de Química Física I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040-Madrid, Spain. mcaceres@quim.ucm.es and CIEMAT. Departamento de Energía. Unidad de Residuos de Alta Actividad, Av. Complutense, 40, 28040-Madrid, Spain.
authors.forename: Laura J
authors.initials: LJ
authors.lastname: Bonales
authors.affiliation: MALTA-Consolider Team. Departamento de Química Física I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040-Madrid, Spain. mcaceres@quim.ucm.es.
authors.forename: Valentín G
authors.initials: VG
authors.lastname: Baonza