Počet záznamů: 1
NMR, FTIR and DFT study of the interaction of the benzoate anion with meso-octamethylcalix[4]pyrrole
- 1.0389828 - ÚMCH 2013 RIV NL eng J - Článek v odborném periodiku
Kříž, Jaroslav - Dybal, Jiří - Makrlík, E. - Sedláková, Zdeňka - Kašička, Václav
NMR, FTIR and DFT study of the interaction of the benzoate anion with meso-octamethylcalix[4]pyrrole.
Chemical Physics Letters. 561/562, 13 March (2013), s. 42-45. ISSN 0009-2614. E-ISSN 1873-4448
Grant CEP: GA ČR GA203/09/1478
Výzkumný záměr: CEZ:AV0Z40500505; CEZ:AV0Z40550506
Institucionální podpora: RVO:61389013 ; RVO:61388963
Klíčová slova: calix[4]pyrrole * anion carriers * NMR
Kód oboru RIV: CD - Makromolekulární chemie
Impakt faktor: 1.991, rok: 2013
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.
Trvalý link: http://hdl.handle.net/11104/0218743
Počet záznamů: 1