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- W2417040981 endingPage "9001" @default.
- W2417040981 startingPage "8994" @default.
- W2417040981 abstract "The synthesis and characterization of cationic two-dimensional metallamacrocycles having a hexagonal shape and cavity are described. Both macrocycles utilize a pyrazine motif containing an organometallic acceptor tecton with platinum(II) centers along with different donor ligands. While one macrocycle is a relatively larger [6 + 6], the other is a relatively smaller [2 + 2] polygon. A unique feature of the smaller ensemble is that it is an irregular polygon in which all six edges are not of equal length. Molecular modeling of these macrocycles confirmed the presence of hexagonal cavities. The ability of these π-electron rich macrocycles to act as potential hosts for relatively electron deficient nitroaromatics (DNT = 2,4-dinitrotoluene and PA = picric acid) has been studied using isothermal titration calorimetry (ITC) as a tool. Molecular dynamics simulation studies were subsequently performed to gain critical insight into the binding interactions between the nitroaromatic guest molecules (PA/DNT) and the ionic macrocycles reported herein." @default.
- W2417040981 created "2016-06-24" @default.
- W2417040981 creator A5011967836 @default.
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- W2417040981 creator A5030095806 @default.
- W2417040981 creator A5067036671 @default.
- W2417040981 creator A5076928632 @default.
- W2417040981 date "2015-09-11" @default.
- W2417040981 modified "2023-09-26" @default.
- W2417040981 title "Pyrazine Motif Containing Hexagonal Macrocycles: Synthesis, Characterization, and Host–Guest Chemistry with Nitro Aromatics" @default.
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- W2417040981 doi "https://doi.org/10.1021/acs.inorgchem.5b01156" @default.