caa a22 4500 465808565 CHVBK 20180323112109.0 cr unu---uuuuu 170327e19900301xx s 000 0 eng 10.1007/BF01160510 doi (NATIONALLICENCE)springer-10.1007/BF01160510 Investigation of hydration effects of dibenzodialkyl-18-crown-6 complexes with the potassium ion by the Monte-Carlo method [Elektronische Daten] [V. Khutorskii, A. Kamenchuk, A. Varnek, Sh. Norov, A. Glebov, V. Kukhar'] The hydration of the potassium complexes of dibenzo-18-crown-6, dibenzo-3,12-dibutyl-18-crown-6, and dibenzo-3,12-dioctyl-18-crown-6 has been investigated by the Monte Carlo method. The calculated values of the energies of interaction of water-cation of the metal complex, water -crown ether, and crown ether-cation are pesented. The results of the calculations show that the investigated potassium complexes of the dialkylsubstituted DB18C6 interact with the aqueous phase much more strongly than the potassium complex of DB18C6. This can lead to the additional structurization of the hydrate shell and, as a result of this, to a decrease in ΔS0 of complex formation and in the stability of the complexes with the increasing number of CH2 groups in the alkyl derivatives of DB18C6. Plenum Publishing Corporation, 1990 Khutorskii V. Institute of Bioorganic Chemistry, Academy of Sciences of the Ukranian SSR, Kiev aut Kamenchuk A. Institute of Bioorganic Chemistry, Academy of Sciences of the Ukranian SSR, Kiev aut Varnek A. Institute of Bioorganic Chemistry, Academy of Sciences of the Ukranian SSR, Kiev aut Norov Sh Institute of Bioorganic Chemistry, Academy of Sciences of the Ukranian SSR, Kiev aut Glebov A. Institute of Bioorganic Chemistry, Academy of Sciences of the Ukranian SSR, Kiev aut Kukhar' V. Institute of Bioorganic Chemistry, Academy of Sciences of the Ukranian SSR, Kiev aut Theoretical and Experimental Chemistry Kluwer Academic Publishers 26/2(1990-03-01), 221-224 0040-5760 26:2<221 1990 26 11237 https://doi.org/10.1007/BF01160510 text/html Onlinezugriff via DOI 1 brief-communication jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01160510 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Khutorskii V. Institute of Bioorganic Chemistry, Academy of Sciences of the Ukranian SSR, Kiev aut NATIONALLICENCE 700 1- Kamenchuk A. Institute of Bioorganic Chemistry, Academy of Sciences of the Ukranian SSR, Kiev aut NATIONALLICENCE 700 1- Varnek A. Institute of Bioorganic Chemistry, Academy of Sciences of the Ukranian SSR, Kiev aut NATIONALLICENCE 700 1- Norov Sh Institute of Bioorganic Chemistry, Academy of Sciences of the Ukranian SSR, Kiev aut NATIONALLICENCE 700 1- Glebov A. Institute of Bioorganic Chemistry, Academy of Sciences of the Ukranian SSR, Kiev aut NATIONALLICENCE 700 1- Kukhar' V. Institute of Bioorganic Chemistry, Academy of Sciences of the Ukranian SSR, Kiev aut NATIONALLICENCE 773 0- Theoretical and Experimental Chemistry Kluwer Academic Publishers 26/2(1990-03-01), 221-224 0040-5760 26:2<221 1990 26 11237 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer