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Title

NMR spectroscopic study of the self-aggregation of 3-hexen-1,5-diyne derivatives

AuthorsPérez, Ana; Saá, Diana de; Ballesteros, Alfredo; Serrano, José Luis; Sierra, Teresa; Romero, Pilar
KeywordsAggregation
DOSY
Self-assembly
Thermodynamics
NMR spectroscopy
Issue Date2013
PublisherWiley-VCH
CitationChemistry - A European Journal 19(31): 10271-10279 (2013)
AbstractThe self-assembly of polycatenar molecules derived from 1,6-diphenyl-3,4-dipropyl-3-hexen-1,5-diyne has been studied in detail by solution NMR spectroscopy. The analysis of the concentration- and temperature-dependent evolution of the chemical shifts and the diffusion coefficients in [D12]cyclohexane agrees well with an isodesmic model of association in this solvent. The association constants for the stacking and entropy and enthalpy of the process have been obtained. The driving force for the aggregation process is provided by a negative enthalpy (ΔH), which is partially compensated by a negative entropy (ΔS). A structural study of the self-assembly in solution has been carried out with the help of NOESY NMR spectroscopic experiments. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Publisher version (URL)http://dx.doi.org/10.1002/chem.201204604
URIhttp://hdl.handle.net/10261/117715
DOI10.1002/chem.201204604
Identifiersdoi: 10.1002/chem.201204604
issn: 0947-6539
e-issn: 1521-3765
Appears in Collections:(ICMA) Artículos
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