Density functional theory study of the bis-3-benzo-crown ethers and their complexes with alkali metal cations Na+ , K+ , Rb+ and Cs+
Author:
Affiliation:
1. Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education; College of Chemistry; Xiangtan University; Xiangtan Hunan 411105 PR China
Funder
Scientific Research Fund of Hunan Provincial Education Department
Publisher
Wiley
Subject
Organic Chemistry,Physical and Theoretical Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/poc.1895/fullpdf
Reference39 articles.
1. Infrared Spectroscopy of Ionophore-Model Systems: Hydrated Alkali Metal Ion 18-Crown-6 Ether Complexes
2. Preorganization?From Solvents to Spherands
3. Origin of macrocyclic enthalpy
4. A systematic study of the effect of macrocycle ring size and donor atom type on the log K, .DELTA.H, and T.DELTA.S of reactions at 25.degree.C in methanol of mono- and divalent cations with crown ethers
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1. 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+;Inorganics;2024-06-06
2. Complexation mechanism of crown ethers with rubidium and cesium ions using density functional theory;Computational and Theoretical Chemistry;2023-07
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