NMR Spectroscopic Study of the Self-Aggregation of 3-Hexen-1,5-diyne Derivatives

作者：Perez Ana; de Saa Diana; Ballesteros Alfredo; Luis Serrano Jose; Sierra Teresa; Romero Pilar^*

来源：Chemistry - A European Journal, 2013, 19(31): 10271-10279.

DOI：10.1002/chem.201204604

• aggregation
• DOSY
• NMR spectroscopy
• self-assembly
• thermodynamics

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 [D-12]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 (H), which is partially compensated by a negative entropy (S). A structural study of the self-assembly in solution has been carried out with the help of NOESY NMR spectroscopic experiments.

• 出版日期2013-7-29