Naslov
Heterolytic reactivity of various organic leaving groups

Autori
Matić, Mirela ; Denegri, Bernard ; Jurić, Sandra ; Kronja, Olga

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
IX. Susret mladih kemijskih inženjera, Zagreb, Hrvatska, 2012 / Sanja Martinez - Zagreb : Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2012, 148-148

ISBN
978-953-6894-45-1

Skup
IX. Susret mladih kemijskih inženjera

Mjesto i datum
Zagreb, Hrvatska, 16.02.2012. - 17.02.2012

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
izlazne skupine; nukleofugalnost; reaktivnost; LFER
(leaving groups; nucleofugality; reactivity; LFER)

Sažetak
The heterolytic reactivity of any substrate undergoing SN1 reaction can be described by LFER Equation 1, in which the electrofugality parameter Ef represents the separated reactivity of the cationic part in a substrate, whereas the nucleofuge-specific parameters Nf and sf characterize reactivity of a leaving group in a given solvent.- log k (25 °C) = sf (Nf + Ef) (eq. 1)- For determining nucleofugality parameters of leaving groups of wide structural variability and reactivity the most comprehensive electrofugality scale based on 39 substituted benzhydrylium ions is employed. Solvolysis first-order rate constants of benzhydryl phenolates, benzoates and aliphatic carboxylates have been measured in various solvents and series of binary aqueous mixtures. Using correlation analysis according to Equation 1 nucleofuge-specific parameters have been yielded for leaving group/solvent combinations. Those Nf parameters enable comparison of leaving group abilities in general as well as estimation of the heterolytic reactivity at 25 °C for different combinations electrofuge/nucleofuge/solvent according to Equation 1. They also indicate variations of solvation effects in solvolysis.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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