000075460 001__ 75460
000075460 005__ 20210820090344.0
000075460 0247_ $$2doi$$a10.3390/molecules23092278
000075460 0248_ $$2sideral$$a108151
000075460 037__ $$aART-2018-108151
000075460 041__ $$aeng
000075460 100__ $$aMartinez-Felipe, A.
000075460 245__ $$aMolecular recognition via hydrogen bonding in supramolecular complexes: A Fourier transform infrared spectroscopy study
000075460 260__ $$c2018
000075460 5060_ $$aAccess copy available to the general public$$fUnrestricted
000075460 5203_ $$aWe 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.
000075460 536__ $$9info:eu-repo/grantAgreement/ES/MINECO/MAT2017-84838-P
000075460 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000075460 590__ $$a3.06$$b2018
000075460 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b67 / 172 = 0.39$$c2018$$dQ2$$eT2
000075460 591__ $$aBIOCHEMISTRY & MOLECULAR BIOLOGY$$b133 / 294 = 0.452$$c2018$$dQ2$$eT2
000075460 592__ $$a0.757$$b2018
000075460 593__ $$aAnalytical Chemistry$$c2018$$dQ1
000075460 593__ $$aChemistry (miscellaneous)$$c2018$$dQ1
000075460 593__ $$aDrug Discovery$$c2018$$dQ1
000075460 593__ $$aPhysical and Theoretical Chemistry$$c2018$$dQ1
000075460 593__ $$aMolecular Medicine$$c2018$$dQ1
000075460 593__ $$aOrganic Chemistry$$c2018$$dQ1
000075460 593__ $$aPharmaceutical Science$$c2018$$dQ1
000075460 593__ $$aMedicine (miscellaneous)$$c2018$$dQ1
000075460 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000075460 700__ $$aBrebner, F.
000075460 700__ $$aZaton, D.
000075460 700__ $$0(orcid)0000-0002-8932-9085$$aConcellon, A.$$uUniversidad de Zaragoza
000075460 700__ $$aAhmadi, S.
000075460 700__ $$0(orcid)0000-0001-5556-2172$$aPiñol, M.$$uUniversidad de Zaragoza
000075460 700__ $$0(orcid)0000-0002-0922-5615$$aOriol, L.$$uUniversidad de Zaragoza
000075460 7102_ $$12013$$2765$$aUniversidad de Zaragoza$$bDpto. Química Orgánica$$cÁrea Química Orgánica
000075460 773__ $$g23, 9 (2018), 2278 [10 pp]$$pMolecules$$tMolecules$$x1420-3049
000075460 8564_ $$s649746$$uhttps://zaguan.unizar.es/record/75460/files/texto_completo.pdf$$yVersión publicada
000075460 8564_ $$s106770$$uhttps://zaguan.unizar.es/record/75460/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000075460 909CO $$ooai:zaguan.unizar.es:75460$$particulos$$pdriver
000075460 951__ $$a2021-08-20-08:37:12
000075460 980__ $$aARTICLE