Modification of local and collective dynamics of water in perchlorate solution, induced by pressure and concentration
Year: 2021
Authors: Calvagna C., Lapini A., Taschin A., Fanetti S., Pagliai M., Bartolini P., Bini R., Righini R., Torre R.
Autors Affiliation: European Lab Nonlinear Spect, LENS, Via Nello Carrara 1, I-50019 Sesto Fiorentino, FI, Italy; CNR, Ist Fis Applicata Nello Carrara, IFAC, Via Madonna Piano 10, I-5009 Sesto Fiorentino, FI, Italy; Univ Parma, Dipartimento Sci Chim Vita & Sostenibilita Ambien, Parco Area Sci 17-A, I-43124 Parma, PR, Italy; ENEA, Agenzia Nazl Nuove Tecnol Energia & Sviluppo Econ, Ctr Ric Frascati, Via Enrico Fermi 45, I-00044 Rome, Italy; Ist Chim Composti Organometall, ICCOM, Via Madonna Piano 10, I-5009 Sesto Fiorentino, FI, Italy; Univ Firenze, Dipartimento Chim Ugo Schiff, Via Lastruccia 3, I-50019 Sesto Fiorentino, FI, Italy; Univ Firenze, Dipartimento Fis & Astron, Via Sansone 1, I-50019 Sesto Fiorentino, FI, Italy.
Abstract: The presence of ions induces perturbations in the water network, these structural and dynamic modifications can extent over space scales overcoming the local solvation shell: aqueous solutions of sodium perchlorate (NaClO4) are characterized by extended phenomena of structure breaking of the solvent network. The aim of the present work is the experimental investigation of the interplay between the local structural modifications induced by the perchlorate ions and the collective dynamical properties of the solvent. Ultrafast Optical Kerr Effect (OKE) and time resolved infrared absorption are the experimental techniques adopted: OKE is mostly sensitive to the collective properties of the sample, while transient IR provides access to local properties of the solvent. Classical Molecular Dynamics (MD) simulations support the analysis of the experimental results. All experiments and simulations are performed at room temperature, varying the concentrations (0-6 M) and varying the applied pressure (10(-4)-1.3 GPa). Experiments and computer simulations confirm that pressure and concentration have convergent effects on the water dynamics, due to the analogous modification of the short-range liquid structure that cancel some dynamical anomalies typical of pure water. Both local and collective dynamic observables point to structural properties as responsible for their peculiar pressure and concentration dependence.
Journal/Review: JOURNAL OF MOLECULAR LIQUIDS
Volume: 337 Pages from: 116273-1 to: 116273-14
More Information: This research was funded by Deep Carbon Observatory initiative (grant Extreme Physics and Chemistry of Carbon, Transformation and Movements in Planetry Interiorsfrom the Alfred P. Sloan Foundation), MIUR (grants FIRB -Futuro in Ricerca 2010 RBFR109ZHQ and RBFR10Y5VW), Ente Cassa di Risparmio Firenze (prog. 2018.1042), Ministero dell’Istruzione dell’Universita e della Ricerca Italiano (PRIN2017-2017Z55KCW) and European Union’s Horizon 2020 research and innovation programme under grant agreement no 871124 Laserlab-Europe.KeyWords: Water; Water dynamics; Ultrafast spectroscopy; High pressure; Optical Kerr effect; Water solutionsDOI: 10.1016/j.molliq.2021.116273Citations: 1data from “WEB OF SCIENCE” (of Thomson Reuters) are update at: 2024-10-20References taken from IsiWeb of Knowledge: (subscribers only)