RT Book,_Section
T1 Interaction between anions and naphthalendiimides
A1 Campo Cacharrón, Alba
A1 Cabaleiro Lago, Enrique Manuel
A1 Rodríguez Otero, Jesús
K1 Anions
K1 Naphthalendiimides
K1 π interactions
AB The process of anion transport trough a synthetic ion channel based in anion···π interactions is studied by means of computational methods. Employing two models for the units forming the channel, the calculations indicate that stable complexes are formed with any of bromide, chloride, fluoride or hydroxide anions. All these complexes exhibit strong interactions in the gas phase. When studied in water no favourable complexation was obtained for any of the anions studied, so anion···π interactions, though strong, are not capable of overcoming the cost of anion dehydration. However, it has been found that a process of hydroxide displacement by another anion is indeed favourable in water
PB MDPI
SN 3-906980-24-3
YR 2010
FD 2010
LK http://hdl.handle.net/10347/26875
UL http://hdl.handle.net/10347/26875
LA eng
NO Proceedings of the 14th International Electronic Conference on Synthetic Organic Chemistry, 1–30 November 2010, MDPI: Basel, Switzerland, doi:10.3390/ecsoc-14-00472
NO The 14th International Electronic Conference on Synthetic Organic Chemistry session Computational Chemistry
DS Minerva
RD 24 abr 2026