Structural and Spectroscopic Properties of Methanediol in Aqueous Solutions from Quantum Chemistry Calculations and Ab Initio Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Structural and Spectroscopic Properties of Methanediol in Aqueous Solutions from Quantum Chemistry Calculations and Ab Initio Molecular Dynamics Simulations

Published:2015-01-06 Issue:2 Volume:119 Page:290-298
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Delcroix Pauline¹,Pagliai Marco²,Cardini Gianni²,Bégué Didier³,Hanoune Benjamin¹

Affiliation:

1. Laboratoire de Physicochimie des Processus de Combustion et de l′Atmosphère, UMR 8522 CNRS, Université Lille 1, F-59655 Villeneuve d′Ascq, France

2. Dipartimento di Chimica “Ugo Schiff”, Università degli Studi di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy

3. Institut des Sciences Analytiques et de Physico-chimie pour l′Environnement et les Matériaux (IPREM), UMR 5254 CNRS-Equipe de Chimie Physique, Université de Pau et des Pays de l′Adour, 2 Avenue du Président Angot, 64053 Pau Cedex 9, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp510759r

Reference48 articles.

1. Gas Phase Hydrolysis of Formaldehyde To Form Methanediol: Impact of Formic Acid Catalysis

2. An Experimental Study of the Organic Molecules Produced in Cometary and Interstellar Ice Analogs by Thermal Formaldehyde Reactions

3. Solubility of gaseous formaldehyde in liquid water and generation of trace standard gaseous formaldehyde

4. A test for the thermodynamic consistency of VLE data for the systems water-formaldehyde and methanol-formaldehyde

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1. A comprehensive benchmark ab initio survey of the stationary points and products of the OH· + CH₃OH system;The Journal of Chemical Physics;2023-01-21

2. Infrared Characterization of Isotopic Analogues of Methanediol in Aqueous Solution;The Journal of Physical Chemistry A;2022-08-05

3. Confirmation of gaseous methanediol from state-of-the-art theoretical rovibrational characterization;Physical Chemistry Chemical Physics;2022

4. Gaseous infrared spectra of the simplest geminal diol CH2(OH)2 and the isotopic analogues in the hydration of formaldehyde;Physical Chemistry Chemical Physics;2021

5. Molecular Clustering in Formaldehyde–Methanol–Water Mixtures Revealed by High-Intensity, High-q Small-Angle Neutron Scattering;The Journal of Physical Chemistry Letters;2020-12-29