caa a22 4500 46580828X CHVBK 20180323112109.0 cr unu---uuuuu 170327e19900501xx s 000 0 eng 10.1007/BF00641337 doi (NATIONALLICENCE)springer-10.1007/BF00641337 Conformational factors in the complexation of tetraoxacrown ethers [Elektronische Daten] [V. Kuz'min, L. Trigub] The conformational changes in tetraoxacrown ethers (ring size 12-16) during hypothetical reaction with alkali-metal ions were investigated by the method of penalty functions. An analysis is made of the variation of the selectivity curves of crown ethers, calculated by the method of atom—atom potential functions, with variation in the length of the methylene chains between the donor atoms. It is shown that the important factor for the effective complexation of macroheterocycles is not the formal correspondence between the size of the ion and the cavity of the ligand but the possible adjustment of the macrocycle for complementary combination with the cation with minimal expenditures of conformotional energy. Plenum Publishing Corporation, 1990 Kuz'min V. A. V. Bogatskii Physicochemical Institute, Academy of Sciences of the Ukrainian SSR, Odessa aut Trigub L. A. V. Bogatskii Physicochemical Institute, Academy of Sciences of the Ukrainian SSR, Odessa aut Theoretical and Experimental Chemistry Kluwer Academic Publishers 26/3(1990-05-01), 299-303 0040-5760 26:3<299 1990 26 11237 https://doi.org/10.1007/BF00641337 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00641337 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Kuz'min V. A. V. Bogatskii Physicochemical Institute, Academy of Sciences of the Ukrainian SSR, Odessa aut NATIONALLICENCE 700 1- Trigub L. A. V. Bogatskii Physicochemical Institute, Academy of Sciences of the Ukrainian SSR, Odessa aut NATIONALLICENCE 773 0- Theoretical and Experimental Chemistry Kluwer Academic Publishers 26/3(1990-05-01), 299-303 0040-5760 26:3<299 1990 26 11237 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer