0312006 - ÚMCH 2009 RIV AT eng J - Journal Article
Dybal, Jiří - Makrlík, E. - Vaňura, P. - Budka, J.
Protonation of 25,27-bis(1-octyloxy)calix[4]arene-crown-6 in the 1,3-alternate conformation.
[Protonace 25,27-bis(1-octyloxy)calix[4]arene-crown-6 v 1,3-střídavé konformaci.]
Monatshefte fur Chemie. Roč. 139, č. 10 (2008), s. 1175-1178. ISSN 0026-9247. E-ISSN 1434-4475
R&D Projects: GA AV ČR 1ET400500402
Institutional research plan: CEZ:AV0Z40500505
Keywords : calixarenes * macrocycles * protonation * DFT * structure
Subject RIV: CD - Macromolecular Chemistry
Impact factor: 1.426, year: 2008
DOI: https://doi.org/10.1007/s00706-008-0910-8

From extraction experiments in the two-phase water-nitrobenzene system and .gamma.-activity measurements, the stability constant of protonated 1,3-alternate-25,27-bis(1-octyloxy)calix[4]arene-crown-6 in nitrobenzene saturated with water was determined. By using DFT calculations, the most probable structure of the 1,3-alternate-25,27-bis(1-octyloxy)calix[4]arene-crown-6.H3O+ complex species was derived.

Z extrakčních experimentů ve dvoufázovém systému voda-nitrobenzen a měření .gamma.-aktivity byla stanovena stabilizační konstanta protonace 1,3-alternate-25,27-bis(1-octyloxy)calix[4]arene-crown-6 ve vodou saturovaném nitrobenzenu. Pomocí DFT výpočtů byla stanovena nejpravděpodobnější struktura komplexu 1,3-alternate-25,27-bis(1-octyloxy)calix[4]arene-crown-6.H3O+.

Permanent Link: http://hdl.handle.net/11104/0004737