Molecular recognition via hydrogen bonding in supramolecular complexes: A Fourier transform infrared spectroscopy study

Martinez-Felipe, A. ; Brebner, F. ; Zaton, D. ; Concellon, A. (Universidad de Zaragoza) ; Ahmadi, S. ; Piñol, M. (Universidad de Zaragoza) ; Oriol, L. (Universidad de Zaragoza)

Resumen: 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.

Idioma: Inglés

DOI: 10.3390/molecules23092278

Año: 2018

Publicado en: Molecules 23, 9 (2018), 2278 [10 pp]
ISSN: 1420-3049

Factor impacto JCR: 3.06 (2018)

Categ. JCR: CHEMISTRY, MULTIDISCIPLINARY rank: 67 / 172 = 0.39 (2018) - Q2 - T2
Categ. JCR: BIOCHEMISTRY & MOLECULAR BIOLOGY rank: 133 / 294 = 0.452 (2018) - Q2 - T2

Factor impacto SCIMAGO: 0.757 - Analytical Chemistry (Q1) - Chemistry (miscellaneous) (Q1) - Drug Discovery (Q1) - Physical and Theoretical Chemistry (Q1) - Molecular Medicine (Q1) - Organic Chemistry (Q1) - Pharmaceutical Science (Q1) - Medicine (miscellaneous) (Q1)

Financiación: info:eu-repo/grantAgreement/ES/MINECO/MAT2017-84838-P

Tipo y forma: Artículo (Versión definitiva)

Área (Departamento): Área Química Orgánica (Dpto. Química Orgánica)