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2013 | 11 | 11 | 1711-1722
Tytuł artykułu

A theoretical study of the limits of the acidity of carbon acids in phase transfer catalysis in water and in liquid ammonia

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Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
The acidities of a large number of carbon acids have been theoretically calculated for the gas-phase and for DMSO solution. The gas-phase values, both ΔH and ΔG, are very well correlated with the available experimental data. From the calculated ΔG values in DMSO and the pKas in the same solvent, a homogeneous set of pK a (DMSO) values was devised that was used to generate pK a (water). These last pK as were used to establish the limits of the acidity of carbon acids for reactions under PTC conditions both alkylations and H/D exchange. A step further led to the pK as in liquid ammonia and from them to the virtual use of PTC using liquid ammonia instead of water. [...]
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Wydawca

Czasopismo
Rocznik
Tom
11
Numer
11
Strony
1711-1722
Opis fizyczny
Daty
wydano
2013-11-01
online
2013-08-25
Twórcy
autor
  • Institute of Medical Chemistry, CSIC, E-28006, Madrid, Spain, ibon@iqm.csic.es
  • Institute of Medical Chemistry, CSIC, E-28006, Madrid, Spain
autor
  • Institute of Medical Chemistry, CSIC, E-28006, Madrid, Spain
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Typ dokumentu
Bibliografia
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Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11532-013-0311-7
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