Dargó, Gergő and Bölcskei, Adrienn and Grün, Alajos and Béni, Szabolcs and Szántó, Zoltán (2017) Proton dissociation properties of arylphosphonates: Determination of accurate Hammett equation parameters. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS. ISSN 0731-7085 (In Press)
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Abstract
Determination of the proton dissociation constants of several arylphosphonic acid derivatives was carried out to investigate the accuracy of the Hammett equations available for this family of compounds. For the measurement of the pKa values modern, accurate methods, such as the differential potentiometric titration and NMR-pH titration were used. We found our results significantly different from the pKa values reported before (pKa1: MAE = 0.16 pKa2: MAE = 0.59). Based on our recently measured pKa values, refined Hammett equations were determined that might be used for predicting highly accurate ionization constants of newly synthesized compounds (pKa1 = 1.70–0.894σ, pKa2 = 6.92–0.934σ).
| Item Type: | Article |
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| Subjects: | Q Science / természettudomány > QD Chemistry / kémia > QD04 Organic chemistry / szerves kémia R Medicine / orvostudomány > R1 Medicine (General) / orvostudomány általában > R850-854 Experimental medicine / kisérleti orvostudomány |
| SWORD Depositor: | MTMT SWORD |
| Depositing User: | MTMT SWORD |
| Date Deposited: | 30 May 2017 08:15 |
| Last Modified: | 21 May 2018 23:15 |
| URI: | http://real.mtak.hu/id/eprint/54167 |
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