The structure of liquid perfluoro Tert-Butanol using Infrared, Raman and X-Ray scattering analyzed by quantum DFT calculations and molecular Dynamics-Reference-Cited by-同舟云学术

The structure of liquid perfluoro Tert-Butanol using Infrared, Raman and X-Ray scattering analyzed by quantum DFT calculations and molecular Dynamics

Published:2021-09 Issue: Volume:779 Page:138844
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Isabel Cabaço M.,Besnard Marcel,Cruz Carlos,Morgado Pedro,Silva Gonçalo M.C.,Filipe Eduardo J.M.,Coutinho João A.P.,Danten Yann

Funder

Fundação para a Ciência e a Tecnologia

Ministerio de Economía y Competitividad

European Regional Development Fund

Laboratório Associado CICECO

European Commission

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference37 articles.

1. Association of tert-Butyl Alcohol: a Matrix Infrared Study;Korppi-Tommola;J. Mol. Struct.,1977

2. Tert-Butyl Alcohol – Matrix I.R. Spectra and Vibration Assignment;Korppi-Tommola;Spectrochimica Acta,1978

3. Monomeric tert-Butanol in Benzene and Cyclohexane Solutions: a Fourier-Transform Infrared Spectroscopy Study;Larsen;J. Sol. Chem.,1998

4. Vibrational Spectra of t-Butyl Alcohol, t-Butylamine and t-Butyl Alcohol + t-Butylamine Binary Liquid Mixtures;Kipkemboi;Bull. Chem. Soc. Ethiop.,2003

5. Hydrogen Bonding in Supercritical tert-Butanol Assessed by Vibrational Spectroscopies and Molecular Dynamics Simulations;Andanson;J. Chem. Phys.,2005

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Unusual interfacial behaviour of mixtures of 2,2,2-Trifluoroethanol with hydrogenated alcohols;Journal of Molecular Liquids;2024-01

2. Perfluorinated pollutants in water: Diffusion coefficient of perfluorosulfonic acids by molecular dynamics simulations;Fluid Phase Equilibria;2023-12

3. The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system tert-butanol + perfluoro tert-butanol;Physical Chemistry Chemical Physics;2023

4. Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations;Journal of Chemical & Engineering Data;2022-12-14

5. Breaking the Structure of Liquid Hydrogenated Alcohols Using Perfluorinated tert-Butanol: A Multitechnique Approach (Infrared, Raman, and X-ray Scattering) Analyzed by DFT and Molecular Dynamics Calculations;The Journal of Physical Chemistry B;2022-03-01