Alkali Metal-Ion Binding by a Model Macrocycle Containing a C-I···N Halogen Bonded Network: A DFT Study of C-I···M⁺ and N···M⁺ Binding Interactions, M⁺ = Li⁺, Na⁺, K⁺, and Rb⁺

The complexation of an alkali metal ion by a model macrocycle is examined using the M05-2X/DGDZVP DFT method. The macrocycle is built by connecting three cyclopenta[b]pyrrole motifs with alternating acetylene and ethylene linkages. Replacing one of the C-H bonds in each motif with a C-I bond allows...

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Hlavní autor:	Rubén D. Parra
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	MDPI AG 2024-06-01
Edice:	Inorganics
Témata:	halogen bond halogen-bonded intramolecular network macrocycle alkali metal ion receptor DFT
On-line přístup:	https://www.mdpi.com/2304-6740/12/6/161
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