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
Link To Document :
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