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Molecules 2018, 23(9), 2278; https://doi.org/10.3390/molecules23092278

Molecular Recognition via Hydrogen Bonding in Supramolecular Complexes: A Fourier Transform Infrared Spectroscopy Study

1
Chemical and Materials Engineering Group, School of Engineering, University of Aberdeen, King’s College, Aberdeen AB24 3UE, UK
2
Department of Chemistry, School of Natural and Computing Sciences, University of Aberdeen, Meston Building, Old Aberdeen AB24 3UE, UK
3
Departamento de Química Orgánica, Instituto de Ciencia de Materiales de Aragoón (ICMA)-Facultad de Ciencias, Universidad de Zaragoza-CSIC, 50009 Zaragoza, Spain
4
Department of Chemistry, Firoozabad Branch, Islamic Azad University, 74715-117 Firoozabd, Iran
*
Author to whom correspondence should be addressed.
Academic Editor: Goar Sánchez
Received: 7 August 2018 / Revised: 3 September 2018 / Accepted: 4 September 2018 / Published: 6 September 2018
(This article belongs to the Special Issue Intramolecular Hydrogen Bonding 2018)
Full-Text   |   PDF [2397 KB, uploaded 6 September 2018]   |  

Abstract

We assess the assembly of supramolecular complexes by hydrogen bonding between azocompounds and a diacylaminopyridine monomer by temperature-dependent Fourier transform infrared spectroscopy (FT-IR) and density functional theory (DFT) calculations. The electronic delocalisation in the supramolecular rings formed by multiple hydrogen bonds stabilises the complexes, which coexist with dimeric species in temperature-dependent equilibria. We show how the application of readily available molecular modelling and spectroscopic techniques can predict the stability of new supramolecular entities coexisting in equilibria, ultimately assessing the success of molecular recognition. View Full-Text
Keywords: supramolecular chemistry; hydrogen bonding; Fourier transform infrared spectroscopy; FT-IR; density functional theory; DFT supramolecular chemistry; hydrogen bonding; Fourier transform infrared spectroscopy; FT-IR; density functional theory; DFT
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Martinez-Felipe, A.; Brebner, F.; Zaton, D.; Concellon, A.; Ahmadi, S.; Piñol, M.; Oriol, L. Molecular Recognition via Hydrogen Bonding in Supramolecular Complexes: A Fourier Transform Infrared Spectroscopy Study. Molecules 2018, 23, 2278.

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