Experimental and theoretical study on cation–π interaction of the univalent thallium cation with [2.2.2]paracyclophane
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Acknowledgments
This work was supported by the Grant Agency of Faculty of Environmental Sciences, Czech University of Life Sciences, Prague, Project No.: 42900/1312/3114, ‘Environmental Aspects of Sustainable Development of Society’, and by the Czech Ministry of Education, Youth, and Sports (Project MSMT No.: 20/2015). The authors of this study thank Prof. Jaroslav Kvíčala from Prague for some theoretical calculations.
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2022, Inorganica Chimica ActaSolvent extraction of europium(III) trifluoromethanesulfonate into nitrobenzene by using [2.2.2]paracyclophane – Experimental and theoretical study
2021, Journal of Molecular LiquidsCitation Excerpt :On the other hand, the binding energy of trivalent cation Eu3+ with [2.2.2]paracyclophane is much higher than that of univalent cations. We can add that the soft univalent cations Ag+ and Tl+ interact with [2.2.2]paracyclophane differently than both, alkali metal cations and Eu3+ [7,8]. While these cations are located in the center of the [2.2.2]paracyclophane cavity, Ag+ and Tl+ cations are located out off plane of ligand cavity, similarly as Sn(II) and Ge(II) [23].
Interaction of Ag<sup>+</sup> with corannulene: Experimental and theoretical study
2021, Chemical Physics LettersInteraction of the lithium cation with [2.2.2]paracyclophane: Experimental and theoretical study
2021, Journal of Molecular StructureCitation Excerpt :Recently, the first-principles model of Fermi resonance in the alkyl CH stretch region has been applied to 1,2-diphenylethane and [2.2.2]paracyclophane [12]. We must emphasize that the cation-π interactions of [2.2.2]paracyclophane (C24H24; see Fig. 1) with the “soft” cations Ag+ [9,10,13] and Tl+ [14] have been investigated. In our previous works, we dealt with the reaction of Na+, K+, Rb+ and Cs+and [2.2.2]paracyclophane in the gas phase [15–18].
Experimental and theoretical study on cation-π interaction of the univalent silver cation with pyrene in the gas phase and in the solid state
2018, Inorganica Chimica ActaCitation Excerpt :Finally, the interaction energies, E(int), of the found conformers A, B, C, D, and E belonging to the complexes [Ag(C16H10)]+ and [Ag(C16H10)2]+, involving the 7-point corrections for the basis set superposition error (BSSE) [58,59], are reviewed in Table 1. At this point it should be stated that the interaction energies corresponding to the complexes [2.2.2]paracyclophane – Tl+ (i.e., [Tl(C24H24)]+) and [2.2.2]paracyclophane – Ag+ (i.e., [Ag(C24H24)]+) in the gas phase are −198.1 and −361.2 kJ/mol, respectively, as evaluated recently [60,61]. From comparison of the previous values with the data given in Table 1, it follows that in the gas phase, the stabilities of the conformers A, B, and C are roughly comparable with that of the [Tl(C24H24)]+ complex, whereas the interaction energies of the remaining conformers D and E are nearly comparable with that of [Ag(C24H24)]+.