Abstract
A furan-based hexaazamacrocycle encapsulates a sulfate anion in its cavity showing strong affinity and selectivity for sulfate in water over a wide range of inorganic anions. The DFT calculations demonstrate that the receptor provides binding sites as hydrogen bonding donors and electrostatic positive charges for the strong binding of sulfate.
Publication types
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Research Support, N.I.H., Extramural
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Research Support, U.S. Gov't, Non-P.H.S.
MeSH terms
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Anions / analysis
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Aza Compounds / chemistry*
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Furans / chemistry*
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Hydrogen Bonding
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Macrocyclic Compounds / chemistry*
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Quantum Theory
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Static Electricity
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Sulfates / analysis*
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Water / chemistry*
Substances
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Anions
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Aza Compounds
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Furans
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Macrocyclic Compounds
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Sulfates
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Water
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furan