Loading...
Search for: microsolvation
0.003 seconds

    Reactions of doubly deprotonated 2,6-naphthalenedicarboxylic acid with alcohols: Proton transfer versus solvation

    , Article International Journal of Mass Spectrometry ; 2016 ; 13873806 (ISSN) Khairallah, G. N ; Meyer, M. M ; O'Hair, R. A. J ; Fattahi, A ; Schmidt, J ; Kass, S. R ; Sharif University of Technology
    Elsevier B.V  2016
    Abstract
    Electrospray ionization of 2,6-naphthalenedicarboxylic acid readily affords its doubly deprotonated dicarboxylate dianion (1 2-). This species clusters with background water and added alcohols in an ion trap at ∼10-3 Torr. Sequential solvation is observed to afford mono and dicoordinated ions. Surprisingly, the latter cluster (1 2- • 2TFE) is protonated by 2,2,2-trifluoroethanol (TFE) whereas 1 2-and 1 2- • TFE are not even though δHacid(TFE)=361.7±2.5kcalmol-1 (as given in the NIST website at http://webbook.nist.gov) and the B3LYP/6-31+G(d,p) proton affinities are 384.7 (1 2-), 377.6 (1 2- • TFE), and 362.7 (1 2- • 2TFE) kcal mol-1. That is, only the weakest base in this series, and the... 

    Reactions of doubly deprotonated 2,6-naphthalenedicarboxylic acid with alcohols: Proton transfer versus solvation

    , Article International Journal of Mass Spectrometry ; Volume 418 , 2017 , Pages 180-187 ; 13873806 (ISSN) Khairallah, G. N ; Meyer, M. M ; O'Hair, R. A. J ; Fattahi, A ; Schmidt, J ; Kass, S. R ; Sharif University of Technology
    Elsevier B.V  2017
    Abstract
    Electrospray ionization of 2,6-naphthalenedicarboxylic acid readily affords its doubly deprotonated dicarboxylate dianion (12−). This species clusters with background water and added alcohols in an ion trap at ∼10−3 Torr. Sequential solvation is observed to afford mono and dicoordinated ions. Surprisingly, the latter cluster (12−• 2TFE) is protonated by 2,2,2-trifluoroethanol (TFE) whereas 12−and 12−• TFE are not even though ΔH°acid(TFE) = 361.7 ± 2.5 kcal mol−1 (as given in the NIST website at http://webbook.nist.gov) and the B3LYP/6-31+G(d,p) proton affinities are 384.7 (12−), 377.6 (12−• TFE), and 362.7 (12−• 2TFE) kcal mol−1. That is, only the weakest base in this series, and the dianion... 

    Ion-pair extraction-reaction of calcium using Y-shaped microfluidic junctions: An optimized separation approach

    , Article Chemical Engineering Journal ; Volume 334 , 2018 , Pages 2603-2615 ; 13858947 (ISSN) Foroozan Jahromi, P ; Karimi Sabet, J ; Amini, Y ; Sharif University of Technology
    Elsevier B.V  2018
    Abstract
    In this research, a continuous microsolvent extraction-reaction was developed for the efficient separation of calcium ion. This study gives a preliminary possible practical application of microfluidic devices in chemical exchange reaction for enrichment of 48Ca stable isotope. For this purpose, in the first stage, the hydrodynamic behavior of two immiscible liquids in a simple Y-shaped microfluidic junction is experimentally investigated, and then ion-pair extraction-reaction of Ca2+ using picric acid as a counter-ion and dicyclohexano-18-crown-6 (DC18C6) as a lipophilic ionophore is studied in this microfluidic and conventional batch method. The impact of main process parameters, including...