ChemInform Abstract: The Study of Linear Solvation Energy Relationship for the Reactivity of Carboxylic Acids with Diazodiphenylmethane in Protic and Aprotic Solvents

ChemInform ◽  
2010 ◽  
Vol 41 (50) ◽  
pp. no-no
Author(s):  
Gordana S. Uscumlic ◽  
Jasmina B. Nikolic
Keyword(s):  
Carboxylic Acids ◽  
Solvation Energy ◽  
Aprotic Solvents ◽  
Linear Solvation Energy Relationship ◽  
Linear Solvation Energy ◽  
Linear Solvation

Linear Solvation Energy Relationship in the Reaction between Phenacyl Bromide and 2-Mercaptobenzothiazole

2009 ◽  
Vol 34 (3) ◽  
pp. 239-248 ◽  
Author(s):  
B. Ramesh ◽  
D. Vijaya Bharathi ◽  
B. Kavitha ◽  
P. Manikyamba
Keyword(s):  
Hydrogen Bond ◽  
Rate Constants ◽  
Solvation Energy ◽  
Phenacyl Bromide ◽  
Aprotic Solvents ◽  
Hydrogen Bond Donor ◽  
Linear Solvation Energy Relationship ◽  
Donor Ability ◽  
Linear Solvation Energy ◽  
Linear Solvation

The reaction between phenacyl bromide and 2-mercaptobenzothiazole was studied conductometrically in 17 different protic and aprotic solvents. The second order rate constants determined are found to be highly susceptible to changes in the solvation abilities of the solvents. Correlation of the rate constants with different solvent parameters indicated that the solvation of the reactants and the transition state is due to the electrophilicity, hydrogen bond donor ability, specific polarisability and a non-specific polarity of the solvent. by statistical analysis, a linear solvation energy relationship is derived and the percentage contributions of each type of solvation are estimated.

Computational Parameters in Correlation Analysis: Gas-Water Distribution Coefficient

1999 ◽  
Vol 64 (11) ◽  
pp. 1727-1747 ◽  
Author(s):  
George R. Famini ◽  
Dalia Benyamin ◽  
Christina Kim ◽  
Rattiporn Veerawat ◽  
Leland Y. Wilson
Keyword(s):  
Correlation Analysis ◽  
Distribution Coefficient ◽  
Water Distribution ◽  
Solvation Energy ◽  
Linear Solvation Energy Relationships ◽  
Linear Solvation Energy Relationship ◽  
Energy Relationships ◽  
Linear Solvation Energy ◽  
Water Equilibrium ◽  
Linear Solvation

Theoretical linear solvation energy relationships (TLSER) combine computational molecular parameters with the linear solvation energy relationship (LSER) of Kamlet and Taft to characterize and predict properties of compounds. This paper examines the correlation of the gas-water equilibrium constant for 423 compounds with the TLSER parameters. Also, it describes new parameters designed to improve the TLSER information content.

Correlation of gas–liquid partition coefficients using a generalized linear solvation energy relationship

2005 ◽  
Vol 80 (2) ◽  
pp. 183-188 ◽  
Author(s):  
Jung Hag Park ◽  
Young Kyu Lee ◽  
Jin Soon Cha ◽  
Seog K. Kim ◽  
Yong Rok Lee ◽  
...  
Keyword(s):  
Partition Coefficients ◽  
Solvation Energy ◽  
Linear Solvation Energy Relationship ◽  
Linear Solvation Energy ◽  
Linear Solvation
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