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- Title
NMR Spectroscopic Study of the Self-Aggregation of 3-Hexen-1,5-diyne Derivatives.
- Authors
Pérez, Ana; de Saá, Diana; Ballesteros, Alfredo; Serrano, José Luis; Sierra, Teresa; Romero, Pilar
- Abstract
The 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 (Δ H), which is partially compensated by a negative entropy (Δ S). A structural study of the self-assembly in solution has been carried out with the help of NOESY NMR spectroscopic experiments.
- Subjects
HEXENE; CHEMICAL derivatives; CHEMICAL shift (Nuclear magnetic resonance); DIPHENYL; CYCLOHEXANE; OVERHAUSER effect (Nuclear physics); ENTROPY; ENTHALPY
- Publication
Chemistry - A European Journal, 2013, Vol 19, Issue 31, p10271
- ISSN
0947-6539
- Publication type
Article
- DOI
10.1002/chem.201204604