European Journal of Chemistry

On the Structure of Liquid Methyl Salicylate: the Role of Intramolecular Hydrogen Bonding

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Published: Sep 29, 2010
DOI: https://doi.org/10.5155/eurjchem.1.3.162-167.23
Keywords:
Salicylate, Hydrogen bonding, DFT-Molecular dynamics, Vibrational spectroscopy, Relaxation spectroscopy
Section
Research Article
Issue
Vol. 1 No. 3 (2010): September 2010
Dates
Received 2010-03-31
Accepted 2010-06-22
Published 2010-09-29


Main Article Content

Santiago Aparicio
Department of Chemistry, University of Burgos, 09001 Burgos, Spain
Rafael Alcalde
Department of Chemistry, University of Burgos, 09001 Burgos, Spain

Abstract

A study on the structure of methyl salicylate is reported using quantum mechanical calculations, molecular dynamics simulations, vibrational spectroscopy and microwave dielectric relaxation spectroscopy tools. The reported results show that a strong intramolecular hydrogen bonding is developed between the hydroxyl hydrogen and carbonyl oxygen. This intramolecular interaction is maintained in gas and liquid phases and even when diluted in inert solvents. Interaction between neighbour molecules is developed through dipolar interactions, and thus, intermolecular hydrogen bonding should be discarded for pure liquid methyl salicylate. The interaction between neighbour methyl salicylate molecules do not lead to remarkable changes in the intramolecular hydrogen bonding.

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Aparicio, S.; Alcalde, R. On the Structure of Liquid Methyl Salicylate: The Role of Intramolecular Hydrogen Bonding. Eur. J. Chem. 2010, 1, 162-167.

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Author Biography

Santiago Aparicio, Department of Chemistry, University of Burgos, 09001 Burgos, Spain

Professor. Department of Chemistry
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