Author: Ernest Graf

0000000001311177

AUTHOR

Ernest Graf

showing 2 related works from this author

Protonation of a Spherical Macrotricyclic Tetramine: Water Inclusion, Allosteric Effect, and Cooperativity

2017

The spherical macrotricyclic cryptand tetramine "C24" (1) displays remarkable protonation behaviour. It undergoes protonation in four successive steps for which pKa values of 11.17±0.05, 10.28±0.04, 6.00±0.06 and 3.08±0.08 have been determined at 298 K. The unusually close values for the first two protonations provide evidence for the encapsulation of a water molecule serving as effector for the second protonation, which is consistent with earlier observations that the exchange of protons bound in the diprotonated species with solvent protons is unusually slow and that 17 O NMR spectra show the presence of an oxygen centre in the same species quite distinct from that of solvent water. Encap…

010405 organic chemistryHydrogen bondprotonationPicrateCryptandProtonationCooperativityGeneral Chemistry010402 general chemistry01 natural sciences0104 chemical sciencesSolventNMR spectra databasechemistry.chemical_compoundCrystallographymacrocycleschemistrysupramolekulaarinen kemiaMoleculeta116tetraminesChemPlusChem

researchProduct

CCDC 1501082: Experimental Crystal Structure Determination

2017

Related Article: Ernest Graf, Jack Harrowfield, Jean-Pierre Kintzinger, Jean-Marie Lehn, Jacques Le Moigne, Kari Rissanen|2018|ChemPlusChem|83|605|doi:10.1002/cplu.201700557

Space GroupCrystallographyCrystal SystemCrystal Structure41016222732-hexaoxa-19-aza-1713-triazoniatricyclo[11.11.5.5719]tetratriacontane tris(246-trinitrophenolate) tetrahydrateCell ParametersExperimental 3D Coordinates

researchProduct

PEPhysical Sciences and Engineering
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LSLife Sciences
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