Molecular Recognition via Hydrogen Bonding in Supramolecular Complexes

A Fourier Transform Infrared Spectroscopy Study

Alfonso Martinez-Felipe (Corresponding Author), Fraser Brebner, Daniel Zaton, Alberto Concellon, Sara Ahmadi, Milagros Piñol, Luis Oriol

Research output: Contribution to journalArticle

1 Citation (Scopus)
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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.
Original languageEnglish
Article number2278
Number of pages10
JournalMolecules
Volume23
Issue number9
Early online date6 Sep 2018
DOIs
Publication statusPublished - Sep 2018

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Molecular recognition
Fourier Transform Infrared Spectroscopy
Hydrogen Bonding
Hydrogen bonds
infrared spectroscopy
Temperature
Molecular modeling
hydrogen
Density functional theory
Hydrogen
monomers
assembly
Monomers
hydrogen bonds
density functional theory
temperature
rings
electronics

Keywords

  • supramolecular chemistry
  • hydrogen bonding
  • Fourier transform infrared spectroscopy
  • FT-IR
  • density functional theory
  • DFT

Cite this

Molecular Recognition via Hydrogen Bonding in Supramolecular Complexes : A Fourier Transform Infrared Spectroscopy Study. / Martinez-Felipe, Alfonso (Corresponding Author); Brebner, Fraser; Zaton, Daniel; Concellon, Alberto ; Ahmadi, Sara; Piñol, Milagros; Oriol, Luis.

In: Molecules, Vol. 23, No. 9, 2278, 09.2018.

Research output: Contribution to journalArticle

Martinez-Felipe, Alfonso ; Brebner, Fraser ; Zaton, Daniel ; Concellon, Alberto ; Ahmadi, Sara ; Piñol, Milagros ; Oriol, Luis. / Molecular Recognition via Hydrogen Bonding in Supramolecular Complexes : A Fourier Transform Infrared Spectroscopy Study. In: Molecules. 2018 ; Vol. 23, No. 9.
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