Molecular Recognition via Hydrogen Bonding in Supramolecular Complexes: A Fourier Transform Infrared Spectroscopy
Alfonso Martinez-Felipe1, Fraser Brebner2, Daniel Zaton3,4
1Chemical and Materials Engineering Group, School of Engineering, University of Aberdeen, King's College, Aberdeen AB24 3UE, UK. a.martinez-felipe@abdn.ac.uk.
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.
Related Concept Videos
Hydrogen Bonds
Hydrogen Bonds Control the World!
Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are unequally shared....
Hydrogen Bonds
Fast Fourier Transform
The computational efficiency of the FFT becomes...
Properties of Fourier Transform I
In radio broadcasting, multiple audio signals often need to be transmitted simultaneously. The Fourier...
Properties of Fourier Transform II
The Frequency Shifting property of Fourier Transforms highlights that a shift in the frequency domain corresponds to a phase shift in the time domain. Mathematically, if x(t) has...
Discrete Fourier Transform


