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Title Diphasic acido-basic properties of D(octylphenyl)phosphoric acid (DOPPA)
Creator/Author Sella, C. ; Cote, G. ; Bauer, D. [Laboratoire de Chimie Analytique, Paris (France)] ; Becis, A. [Centre de Developpement des Materiaux, Draria (Algeria)]
Publication Date1995 Jul 01
OSTI IdentifierOSTI ID: 70364
Other Number(s)SEIEDB; ISSN 0736-6299
Resource TypeJournal Article
Resource RelationSolvent Extraction and Ion Exchange ; VOL. 13 ; ISSUE: 4 ; PBD: Jul 1995
Subject36 MATERIALS SCIENCE ;40 CHEMISTRY ;99 MATHEMATICS, COMPUTERS, INFORMATION SCIENCE, MANAGEMENT, LAW, MISCELLANEOUS ; RARE EARTHS; SOLVENT EXTRACTION; PHOSPHORIC ACID; MOLECULAR MODELS; MOLECULAR STRUCTURE; PH VALUE; ORGANIC ACIDS; COMPILED DATA
Description/Abstract In the first part of this work, the diphasic acido-basic constant (pka*) of di(octylphenyl)phosphoric acid, denoted hereafter DOPPA or HL, is determined from its experimental diphasic neutralization curve. The pka* value of DOPPA appears to be equal to 2.6 in the presence of 1 mol/dm{sup 3} sodium salt. Such a value is significantly lower than that previously determined for di(2-ethylhexyl) phosphoric acid (DEHPA, pka*= 5.2), 2-ethylhexylphosphonic acid, mono-2-ethylhexyl ester (PC88A, pka*= 7.1) and di(2,4,4-trimethylpentyl)phosphinic acid (CYANEX 272, pka*= 8.7). DOPPA (HL) is definitely more acidic than the other organophosphorus acids because its acidic proton can be easily exchanged with sodium cation to form Na{sup+}HL{sub 2}{sup -} species in organic phase. In the second and final part of the work, molecular modelling is used to model the dimers of various organophosphorus acids. A structure-activity relationship is obtained between the association energies of modelled dimers and their diphasic acido-basic constants. This relationship is then used for predicting the pka* values of DOPPOA and DOPPIA which are the phosphonic and phosphinic analogs of DOPPA, respectively. 16 refs., 5 figs., 4 tabs.
Country of PublicationUnited States
LanguageEnglish
Formatpp. 715-729 ; PL:
System Entry Date2001 May 03

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