Free energy, enthalpy, and entropy of formation for copper(II) complexes with some C(1)-substituted 1,2-diaminoethanes

1967 ◽  
pp. 1441 ◽  
Author(s):  
H. K. J. Powell ◽  
N. F. Curtis
Keyword(s):  
Free Energy ◽  
Entropy Of Formation ◽  
Enthalpy And Entropy

Dielectric relaxation of some aliphatic ketones in dilute solutions

1976 ◽  
Vol 54 (7) ◽  
pp. 794-799 ◽  
Author(s):  
M. P. Madan
Keyword(s):  
Free Energy ◽  
Relaxation Time ◽  
Dielectric Relaxation ◽  
Relaxation Mechanism ◽  
Relaxation Data ◽  
Nonpolar Solvents ◽  
Aliphatic Ketones ◽  
Entropy Of Activation ◽  
Enthalpy And Entropy ◽  
Dielectric Relaxation Behavior

The dielectric relaxation behavior of 2-butanone, 2-pentanone, 2-heptanone, and 3-nonanone in dilute nonpolar solvents, n-heptane, cyclohexane, benzene, and carbon tetrachloride has been studied in the microwave region at a number of temperatures. The relaxation data have been used to estimate the free energy, enthalpy, and entropy of activation for the relaxation mechanism. The values of the relaxation time for those solutions for which there are available known data agree well with other determinations. The results have been discussed in terms of dipole reorientation by intramolecular and overall molecular rotation and compared, wherever possible, with other similar studies on aliphatic molecules.

scholarly journals Rationalisation of the activities of phenolic (vitamin E-type) antioxidants

2003 ◽  
Vol 17 (4) ◽  
pp. 753-762
Author(s):  
Christopher J. Rhodes ◽  
Thuy T. Tran ◽  
Philip Denton ◽  
Harry Morris
Keyword(s):  
Free Energy ◽  
Vitamin E ◽  
Gibbs Free Energy ◽  
State Theory ◽  
Linear Free Energy Relationship ◽  
Free Energies ◽  
Gibbs Free Energy Change ◽  
Linear Free Energy ◽  
Free Energy Of Activation ◽  
Enthalpy And Entropy

Using Transition-State Theory, experimental rate constants, determined over a range of temperatures, for reactions of vitamin E type antioxidants are analysed in terms of their enthalpies and entropies of activation. It is further shown that computational methods may be employed to calculate enthalpies and entropies, and hence Gibbs Free Energies, for the overall reactions. Within the Linear Free Energy Relationship (LFER) assumption, that the Gibbs Free Energy of activation is proportional to the overall Gibbs Free Energy change for the reaction, it is possible to rationalise, and even to predict, the relative contributions of enthalpy and entropy for reactions of interest, involving potential antioxidants.

Thermodynamics of transfer of Ph4C; scaled-particle theory and the Ph4As+/Ph4B− assumption for single ions

1979 ◽  
Vol 57 (15) ◽  
pp. 2004-2009 ◽  
Author(s):  
Michael H. Abraham ◽  
Asadollah Nasehzadeh
Keyword(s):  
Free Energy ◽  
Total Free Energy ◽  
Scaled Particle Theory ◽  
Free Energies ◽  
Particle Theory ◽  
Free Energy Of Transfer ◽  
Enthalpy And Entropy ◽  
Interaction Term ◽  
Energy Of Transfer ◽  
Entropy Of Transfer

Free energies of transfer of Ph4C from acetonitrile to 20 other solvents have been calculated from literature data. The contribution of the cavity term to the total free energy has been obtained from scaled-particle theory and Sinanoglu–Reisse–Moura Ramos theory. It is shown that there is little connection between the cavity term and the total free energy of transfer, and that there must be, in general, a large interaction term. If the latter is important for transfer of Ph4C, we argue that it must also be important for transfer of the ions Ph4As+ and Ph4B−. Previous suggestions that the interaction term is zero for transfer of these two ions are thus seen to be unreasonable. We also show, for six solvents, that the interaction term for Ph4C is very large in terms of enthalpy and entropy, and that scaled-particle theory seems not to apply to transfers of Ph4C between pure organic solvents.The free energy, enthalpy, and entropy of transfer of Ph4As+ = Ph4B− have been calculated by dividing the total transfer values into neutral and electrostatic contributions; reasonable agreement is obtained between calculated and observed values.

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