The liquid water-benzene system

The 500 MHz NMR spectra of water-benzene solution near saturation at 303.15, 323.15, and 343.15 K indicate that there is a proton-proton exchange between the water and benzene molecules. In the solution water appears to be present as a dimer attached to the benzene π cloud on one side of each of the...

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Autores principales:	Baron, M., Kowalewski, V.J.
Formato:	JOUR
Materias:	Atomic beams Benzene Dimers Hydrogen Molecular dynamics Nuclear magnetic resonance Protons Saturation (materials composition) Solutions Water Hydrogen atoms hovers Jahn-Teller effects Proton-proton exchange Water molecules Binary mixtures benzene proton water article chemical structure chemistry dimerization hydrophobicity nuclear magnetic resonance spectroscopy Dimerization Hydrophobicity Magnetic Resonance Spectroscopy Models, Molecular
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_10895639_v110_n22_p7122_Baron
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	todo:paper_10895639_v110_n22_p7122_Baron
record_format	dspace
spelling	todo:paper_10895639_v110_n22_p7122_Baron2023-10-03T16:04:34Z The liquid water-benzene system Baron, M. Kowalewski, V.J. Atomic beams Benzene Dimers Hydrogen Molecular dynamics Nuclear magnetic resonance Protons Saturation (materials composition) Solutions Water Hydrogen atoms hovers Jahn-Teller effects Proton-proton exchange Water molecules Binary mixtures benzene proton water article chemical structure chemistry dimerization hydrophobicity nuclear magnetic resonance spectroscopy Benzene Dimerization Hydrophobicity Magnetic Resonance Spectroscopy Models, Molecular Protons Water The 500 MHz NMR spectra of water-benzene solution near saturation at 303.15, 323.15, and 343.15 K indicate that there is a proton-proton exchange between the water and benzene molecules. In the solution water appears to be present as a dimer attached to the benzene π cloud on one side of each of the two (initially degenerate) fundamental energy levels, as predicted by the Jahn-Teller effect. This view is reinforced by the fact that one of its hydrogen atoms hovers above one of the carbon atoms and the other three are spread upward around the C6 axis of the benzene molecule. It is also supported by the calculated NMR spectra. Both effects are responsible for the change in the NMR spectra of the water molecules from a single line into four AB signals. © 2006 American Chemical Society. Fil:Baron, M. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Kowalewski, V.J. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_10895639_v110_n22_p7122_Baron
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Atomic beams Benzene Dimers Hydrogen Molecular dynamics Nuclear magnetic resonance Protons Saturation (materials composition) Solutions Water Hydrogen atoms hovers Jahn-Teller effects Proton-proton exchange Water molecules Binary mixtures benzene proton water article chemical structure chemistry dimerization hydrophobicity nuclear magnetic resonance spectroscopy Benzene Dimerization Hydrophobicity Magnetic Resonance Spectroscopy Models, Molecular Protons Water
spellingShingle	Atomic beams Benzene Dimers Hydrogen Molecular dynamics Nuclear magnetic resonance Protons Saturation (materials composition) Solutions Water Hydrogen atoms hovers Jahn-Teller effects Proton-proton exchange Water molecules Binary mixtures benzene proton water article chemical structure chemistry dimerization hydrophobicity nuclear magnetic resonance spectroscopy Benzene Dimerization Hydrophobicity Magnetic Resonance Spectroscopy Models, Molecular Protons Water Baron, M. Kowalewski, V.J. The liquid water-benzene system
topic_facet	Atomic beams Benzene Dimers Hydrogen Molecular dynamics Nuclear magnetic resonance Protons Saturation (materials composition) Solutions Water Hydrogen atoms hovers Jahn-Teller effects Proton-proton exchange Water molecules Binary mixtures benzene proton water article chemical structure chemistry dimerization hydrophobicity nuclear magnetic resonance spectroscopy Benzene Dimerization Hydrophobicity Magnetic Resonance Spectroscopy Models, Molecular Protons Water
description	The 500 MHz NMR spectra of water-benzene solution near saturation at 303.15, 323.15, and 343.15 K indicate that there is a proton-proton exchange between the water and benzene molecules. In the solution water appears to be present as a dimer attached to the benzene π cloud on one side of each of the two (initially degenerate) fundamental energy levels, as predicted by the Jahn-Teller effect. This view is reinforced by the fact that one of its hydrogen atoms hovers above one of the carbon atoms and the other three are spread upward around the C6 axis of the benzene molecule. It is also supported by the calculated NMR spectra. Both effects are responsible for the change in the NMR spectra of the water molecules from a single line into four AB signals. © 2006 American Chemical Society.
format	JOUR
author	Baron, M. Kowalewski, V.J.
author_facet	Baron, M. Kowalewski, V.J.
author_sort	Baron, M.
title	The liquid water-benzene system
title_short	The liquid water-benzene system
title_full	The liquid water-benzene system
title_fullStr	The liquid water-benzene system
title_full_unstemmed	The liquid water-benzene system
title_sort	liquid water-benzene system
url	http://hdl.handle.net/20.500.12110/paper_10895639_v110_n22_p7122_Baron
work_keys_str_mv	AT baronm theliquidwaterbenzenesystem AT kowalewskivj theliquidwaterbenzenesystem AT baronm liquidwaterbenzenesystem AT kowalewskivj liquidwaterbenzenesystem
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The liquid water-benzene system

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