Title of article
NMR, FTIR and DFT study of the interaction of the benzoate anion with meso-octamethylcalix[4]pyrrole
Author/Authors
K???، نويسنده , , Jaroslav and Dybal، نويسنده , , Ji?? and Makrl?k، نويسنده , , Emanuel and Sedl?kov?، نويسنده , , Zde?ka and Ka?i?ka، نويسنده , , V?clav، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2013
Pages
4
From page
42
To page
45
Abstract
Benzoate anion forms a strong complex with meso-octamethylcalix[4]pyrrole in nitrobenzene with the stabilization constant K = 3.88 × 105 mol−1 L−1 at 298 K. According to NMR and FTIR spectra and DFT calculations, the benzoate anion is symmetrically bound by two pairs of hydrogen bonds to its oxygen atoms. The bound anion is prone to fast exchange with a free anion of the same kind, the exchange correlation time being 4.93 × 10−5 s at 298 K.
Journal title
Chemical Physics Letters
Serial Year
2013
Journal title
Chemical Physics Letters
Record number
1934486
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