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AvtorMakuc, Damjan, 1978-
Albrecht, Markus
Plavec, Janez
Naslov Conformational changes of functionalised indole receptors upon their interaction with anions / Damjan Makuc, Markus Albrecht and Janez Plavec
Vrsta/vsebinatype of material članek - sestavni del
Jezikangleški
Leto2010
Fizični opisstr. 603-611
OpombeAbstract
Predmetne oznake (nekontrolirane)konformacija / analize / spektroskopija / NMR
UDK544.1
Doi/ISAN10.1080/10610278.2010.506544
PovzetekThe conformational analysis of four C2-amido and C7-ureido functionalised indole anion receptors was performed by a combination of heteronuclear NMR spectroscopy and ab initio quantum mechanical calculations. NOE experiments showed that anti-anti conformation across C2-C2 and C7-N7 bonds is predominantin acetone solution in the absence of anions. Upon anion binding toreceptors, syn-syn conformation becomes predominant. The conformational changes upon anion binding are in good agreement with energetic preferences established by ab initio calculations. Chemical shift changes induced by interaction of anions suggest that binding of chloride and bromide anions occurs primarily to H1 and H7 protons. Nitrate anions favour interaction with H7 and H7? ureido protons, whereas acetate anions interact strongly with all four available hydrogen bond donor groups.
COBISS.SI-ID4528922
Glej publikacijo TI=Supramolecular chemistry ISSN: 1061-0278.- Vol. 22, no. 10 (2010), str. 603-611

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