XII Iberian Meeting of Electrochemistry XVI Meeting of the ...

XII Iberian Meeting of Electrochemistry & XVI Meeting of the Portuguese Electrochemical Society O A 02
Modern QSPR methodology to address non-solved solution
electrochemistry old issues
Luís Moreira, 1,2 Marina Reis, 1 Nelson Nunes, 1,3 Rui Filipe, 3,4 Filomena
Martins, 1,3 Ruben Elvas Leitão 1,3
1 CQB/FCL, Ed. C8, Campo Grande, 1749-016 Lisboa, Portugal
2 ISEC/UCT, Al. das Linhas de Torres, 179, 1750-142 Lisboa, Portugal
3
ISEL/DEQ, R. Conselheiro Emídio Navarro, 1950-062, Lisboa, Portugal
4
CPQ/IST, DEQB, Av. Rovisco Pais, 1049-001 Lisboa, Portugal
lmmoreira@fc.ul.pt
Conductivity measurements of 2,6-lutidinium chloride were performed in several
solvents in different concentrations ranging from 0.0001 mol dm -3 to 0.02 mol dm -3 and
temperatures (25.00 to 80.00 ºC). The obtained m = f (c) curves were adjusted to the
FHP (Fuoss-Hsia-Prini) equation both in its full and truncated forms. The statistical
significance of including all three adjustable parameters ( 0 m, K A , a) and further terms
used in this equation is fully discussed.
The large amount of data collected allowed an in-depth analysis of temperature effects
on ionic association and mobility which has been started elsewhere [1]. In particular, the
application of a suitable equation within a QSPR (quantitative structure-property
relationships) context allowed a proper identification and quantification of specific ionsolvent-solvent
interactions which play an important role in ionic association. In
addition, the temperature dependence of the referred interactions was also scrutinised.
The present work strongly emphasises the need to establish a modern methodology to
address non-solved old issues such as solvent effects on association phenomena in order
to obtain a clearer understanding of the underlying molecular events.
References
[1] Moreira, L.; Leitão, R. E.; Martins, F. Molecular Physics, 2006, 104, 1905.
September, 811, 2010. ISEL - Lisbon 27