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    Molecular-microscopic properties and preferential solvation in protic ionic liquid mixtures

    , Article Journal of Solution Chemistry ; Volume 42, Issue 9 , October , 2013 , pp. 1757-1769 ; 1572-8927 Salari, H. (Hadi) ; Ahmadvand, S. (Seyedsaeid) ; Harifi-Mood, A. R. (Ali Reza) ; Padervand, M. (Mohsen) ; Gholami, M. R. (Mohammad Reza) ; Sharif University of Technology
    Abstract
    Structural and molecular-microscopic properties of the solvatochromic probes 4-nitroaniline, 4-nitroanisole, and Reichardt’s dye were investigated in binary mixtures of ethylammonium propionate with methanol, ethanol, 1-propanol and 2-propanol. Solvatochromic parameters (α, hydrogen-bond donor acidity; β, hydrogen-bond acceptor basicity; π*, dipolarity/polarizability; ENT , normalized polarity parameter) in different binary mixtures of ionic liquid with molecular solvents were determined with UV–Vis spectroscopy. The ENT parameters show nearly ideal trends in all solvent mixtures, but the other parameters show different behavior in the mixtures. The π* parameters show a negative deviation... 

    Reaction kinetics investigation of 1-fluoro-2,4-dinitrobenzene with substituted anilines in ethyl acetate–methanol mixtures using linear and nonlinear free energy relationships

    , Article Journal of Physical Organic Chemistry ; Volume 24, Issue 11 , November , 2011 , pages 1095–1100 Jamali-Paghaleh, J. (Javad) ; Harifi-Mood, A. R. (Ali Reza) ; Gholami, M. R. (Mohammad Reza) ; Sharif University of Technology
    Abstract
    Aromatic nucleophilic substitution reaction of 1-fluoro-2,4-dinitrobenzene with para-substituted and meta-substituted anilines was kinetically investigated in the mixtures of ethyl acetate and methanol at room temperature. The correlation of second-order rate coefficients with Hammett's substituent constants yields a fairly linear straight line with negative slope in different mole fractions of ethyl acetate–methanol mixtures. The measured rate coefficients of the reaction demonstrated a dramatic variation in ethyl acetate–methanol mixtures with the increasing mole fraction of ethyl acetate. Linear free energy relationship (LFER) investigations confirm that polarity has a major effect on the... 

    Solvatochromic Probes Absorbance Behavior in Mixtures of 2-Hydroxy ethyl ammonium formate with methanol, ethylene glycol and glycerol

    , Article Journal of Solution Chemistry ; Volume 39, Issue 10 , October , 2010 , pp 1509-1519 Salari, H. (Hadi) ; Harifi-Mood, A. R. (Ali Reza) ; Elahifard, M. R. (Mohammad Reza) ; Gholami, M. R. (Mohammad Reza) ; Sharif University of Technology
    Abstract
    Solute-solvent and solvent-solvent interactions were investigated for binary mixtures of an ionic liquid (IL) 2-hydroxy ethylammonium formate as with methanol, ethylene glycol and glycerol. The physicochemical properties of the solvent mixtures at 25 °C, over the whole range of mole fractions, were determined using solvatochromic probes. High normal polarity ( ENT ) in the alcohol-rich region confirms solute-solvent interactions in this medium. Dipolarity/polarizability (π ∗) show a different trend to ENT with a positive deviation from ideal behavior in IL-glycerol mixtures. However, these deviations for other solvent mixtures are insignificant. Contrary to what is observed for ENT and π ∗,... 

    Molecular-microscopic properties and preferential solvation in protic ionic liquid mixtures

    , Article Journal of Solution Chemistry ; Volume 42, Issue 9 , 2013 , Pages 1757-1769 ; 00959782 (ISSN) Salari, H ; Ahmadvand, S ; Harifi-Mood, A. R ; Padervand, M ; Gholami, M. R ; Sharif University of Technology
    2013
    Abstract
    Structural and molecular-microscopic properties of the solvatochromic probes 4-nitroaniline, 4-nitroanisole, and Reichardt's dye were investigated in binary mixtures of ethylammonium propionate with methanol, ethanol, 1-propanol and 2-propanol. Solvatochromic parameters (α, hydrogen-bond donor acidity; β, hydrogen-bond acceptor basicity; π*, dipolarity/ polarizability; ET N, normalized polarity parameter) in different binary mixtures of ionic liquid with molecular solvents were determined with UV-Vis spectroscopy. The ET N parameters show nearly ideal trends in all solvent mixtures, but the other parameters show different behavior in the mixtures. The πparameters show a negative deviation... 

    Solvatochromic probes absorbance behavior in mixtures of 2-hydroxy ethylammonium formate with methanol, ethylene glycol and glycerol

    , Article Journal of Solution Chemistry ; Volume 39, Issue 10 , 2010 , Pages 1509-1519 ; 00959782 (ISSN) Salari, H ; Harifi Mood, A. R ; Elahifard, M. R ; Gholami, M. R ; Sharif University of Technology
    2010
    Abstract
    Solute-solvent and solvent-solvent interactions were investigated for binary mixtures of an ionic liquid (IL) 2-hydroxy ethylammonium formate as with methanol, ethylene glycol and glycerol. The physicochemical properties of the solvent mixtures at 25 °C, over the whole range of mole fractions, were determined using solvatochromic probes. High normal polarity (ETN) in the alcohol-rich region confirms solute-solvent interactions in this medium. Dipolarity/polarizability (π *) show a different trend to ETN with a positive deviation from ideal behavior in IL-glycerol mixtures. However, these deviations for other solvent mixtures are insignificant. Contrary to what is observed for E TN and π*,... 

    Study of Solvent-Solvent and Solute-Solvent Interactions and Measurement of Solvatochromic Parameters in Mixture of Molecular Solvents with Solvents

    , M.Sc. Thesis Sharif University of Technology Kohantorabi, Mona (Author) ; Gholami, Mohammad (Supervisor) ; Rahman Setayesh, Shahrbano (Supervisor) ; Salari, Hadi (Co-Advisor)
    Abstract
    Solvent-solvent and solute-solvent interactions were investigated in mixtures of Triton X-100 with water, methanol, ethanol, 1-propanol, tetrahydrofuran and butyl acetate. Solvatochromic parameters, including normalized polarity (E_T^N), dipolarity-polarizability (), hydrogen-bond donar (), and hydrogen-bond acceptor () abilities, were determined in these mixtures. We observed similar behavior for E_T^N and  in TX-100/alcohols mixtures. Parameters confirmed the preferential solvation in mixtures of surfactant and solvents.
    Experimental data were handled in preferential solvation model. Six binary systems exhibit a complex behavior for all three indicators. It was shown that... 

    Reaction kinetics investigation of 1-fluoro-2,4-dinitrobenzene with substituted anilines in ethyl acetate-methanol mixtures using linear and nonlinear free energy relationships

    , Article Journal of Physical Organic Chemistry ; Volume 24, Issue 11 , 2011 , Pages 1095-1100 ; 08943230 (ISSN) Jamali Paghaleh, J ; Harifi Mood, A. R ; Gholami, M. R ; Sharif University of Technology
    Abstract
    Aromatic nucleophilic substitution reaction of 1-fluoro-2,4-dinitrobenzene with para-substituted and meta-substituted anilines was kinetically investigated in the mixtures of ethyl acetate and methanol at room temperature. The correlation of second-order rate coefficients with Hammett's substituent constants yields a fairly linear straight line with negative slope in different mole fractions of ethyl acetate-methanol mixtures. The measured rate coefficients of the reaction demonstrated a dramatic variation in ethyl acetate-methanol mixtures with the increasing mole fraction of ethyl acetate. Linear free energy relationship (LFER) investigations confirm that polarity has a major effect on the... 

    Surfactant binary systems: Ab initio calculations, preferential solvation, and investigation of solvatochromic parameters

    , Article Journal of Chemical and Engineering Data ; Volume 61, Issue 1 , 2016 , Pages 255-263 ; 00219568 (ISSN) Kohantorabi, M ; Salari, H ; Fakhraee, M ; Gholami, M.R ; Sharif University of Technology
    American Chemical Society 
    Abstract
    Solvatochromic UV-vis shifts of three probes 4-nitroaniline, 4-nitroanisol, and Reichardt's dye in binary mixtures of polyethylene glycol p-(1,1,3,3-tetramethylbutyl)-phenyl ether (Triton X-100 or TX-100) with methanol, ethanol, 1-propanol, and water have been investigated at 298 K. Structural and intermolecular interactions of solvatochromic probes were determined in these systems. Solvatochromic parameters, including normalized polarity (ETN), dipolarity-polarizability (π∗), hydrogen-bond donor (α), and hydrogen-bond acceptor (β) abilities, were measured at a wide range of mole fraction (0 ≤ X ≤ 1) with 0.1 increment. Interestingly, a similar behavior of ETN and α is observed in... 

    Solvatochromic Parameters Effects Study on Kinetics of Aromatic Nucleophilic Substitution Reaction in Mixture of Ionic Liquid and Alcoholic Solvents

    , M.Sc. Thesis Sharif University of Technology Ahmadvand, Saeid (Author) ; Gholami, Mohammad Reza (Supervisor)
    Abstract
    Solute-solvent and solvent-solvent interactions were investigated in mixtures of ethylammonium propionate with methanol, ethanol, isopropanol and propanol. Solvatochromic parameters, including normalized polarity ( ), polarity/dipolarizability (p*), hydrogen-bond donor (a), and hydrogen-bond acceptor (ß) abilities, were determined in these mixtures. Parameters showed synergetic effects in mixtures of ionic liquid and alcohols due to the preferential solvation. General polarity shows an ideal behavior in all mixtures, polarity/dipolarizability exhibit increasing profile in all mixtures preferential salvation caused nonideal behavior for hydrogen-bond acceptor parameter Solvent... 

    Preferential solvation and behavior of solvatochromic indicators in mixtures of an ionic liquid with some molecular solvents

    , Article The Journal of Physical Chemistry B ; vol.114 (29) , July , 2010 , pp 9586–9593 Salari, H. (Hadi) ; Khodadadi-Moghaddam, M.(Mohammad) ; Harifi-Mood, A. R. (Ali Reza) ; Gholami, M. R. (Mohammad Reza) ; Sharif University of Technology
    Abstract
    Structural and intermolecular interactions of solvatochromic probes 4-nitroaniline, 4-nitroanisole, and Reichardt’s dye were investigated in the binary mixtures of 2-hydroxy ethylammonium formate as an ionic liquid with N,N-dimethyl formamide, dimethyl amine, and dimethyl sulfoxide. Solvatochromic parameters (ETN, normalized polarity parameter; π*, dipolarity/polarizability; β, hydrogen-bond acceptor basicity; α, hydrogen -bond donor acidity) were determined in ionic liquid mixtures at 25 °C using UV−vis spectroscopy. ETN parameters obtained from absorbance of Reichardt’s dye within various mixtures of ionic liquid were observed to be higher than predicted values from ideal additive... 

    Preferential solvation and behavior of solvatochromic indicators in mixtures of an ionic liquid with some molecular solvents

    , Article Journal of Physical Chemistry B ; Volume 114, Issue 29 , 2010 , Pages 9586-9593 ; 15206106 (ISSN) Salari, H ; Khodadadi Moghaddam, M ; Harifi Mood, A. R ; Gholami, M. R ; Sharif University of Technology
    American Chemical Society  2010
    Abstract
    Structural and intermolecular interactions of solvatochromic probes 4-nitroaniline, 4-nitroanisole, and Reichardts dye were investigated in the binary mixtures of 2-hydroxy ethylammonium formate as an ionic liquid with N,N-dimethyl formamide, dimethyl amine, and dimethyl sulfoxide. Solvatochromic parameters (ETN, normalized polarity parameter; π, dipolarity/polarizability; β, hydrogen-bond acceptor basicity; α, hydrogen -bond donor acidity) were determined in ionic liquid mixtures at 25°C using UV-vis spectroscopy. ETN parameters obtained from absorbance of Reichardt dye within various mixtures of ionic liquid were observed to be higher than predicted values from ideal additive behavior.... 

    Probing solvent-solvent and solute-solvent interactions in surfactant binary mixtures: Solvatochromic parameters, preferential solvation, and quantum theory of atoms in molecules analysis

    , Article RSC Advances ; Volume 6, Issue 22 , 2016 , Pages 18515-18524 ; 20462069 (ISSN) Kohantorabi, M ; Fakhraee, M ; Salari, H ; Gholami, M. R ; Sharif University of Technology
    Royal Society of Chemistry 
    Abstract
    The behaviour of solvatochromic absorbance probes (4-nitroaniline, 4-nitroanisole, and Reichardt's dye) within binary mixtures of polyethylene glycol p-(1,1,3,3-tetramethylbutyl)-phenyl ether (Triton X-100 or TX-100)/organic solvents (2-propanol, hexanol, butyl acetate, THF, toluene, and p-xylene) was extensively explored by using solvatochromism and the quantum theory of atoms in molecules (QTAIM). To be more precise, the polarity parameters, ET N, and Kamlet-Taft parameters, such as the hydrogen bond donor ability (HBD) (α), hydrogen bond acceptor ability (HBA) (β), and dipolarity/polarizability (π∗), have been investigated in selected mixtures at 298 K. All binary mixtures exhibit complex...