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Updated: Jul 7, 2026

Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry
Published on: October 18, 2019
Triethylsilanol: molecular conformations and role of the hydrogen-bonding oligomerization in its vibrational spectra
Manuel Montejo1, Francisco Partal Ureña, Fernando Márquez
1Physical and Analytical Chemistry Department, University of Jaén, Campus Las Lagunillas, E-23071 Jaén, Spain.
Abstract:
We report a theoretical study of the molecular structure of the triethylsilanol molecule and a thorough conformational analysis of the species following the Boltzmann's distribution law. The vibrational spectra of the title molecule have been assigned by means of the combined use of experimental data obtained from IR and Raman spectra and theoretical DFT calculations with the subsequent implementation of the SQMFF methodology. The role of hydrogen bonding in the shifting of the vibrational bands of the silanol group in the spectra of the liquid phase is discussed using a model of triethylsilanol dimer.
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