Ultrafast two-dimensional infrared vibrational echo chemical exchange experiments and theory

Article Abstract:

The chemical exchange between solute-solvent complexes and the free solute for the solute phenol and three solvent complex partners, p-xylene, benzene, and bromobenzene, in mixed solvents of the partner and CCl4 was examined using ultrafast two-dimensional (2D) infrared vibrational echo experiments and theory. The analysis yielded the spectral diffusion and showed that the spectral diffusion is significantly different for phenol complexes and free phenol.

Petrochemical Manufacturing, Benzene, Electric properties, Chemical reactions, Chemical properties

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Solvent reorganization energy and free energy change for donor/acceptor electron transfer at micelle surfaces: theory and experiment

Article Abstract:

A study was conducted to examine solvent reorganization energy and free energy change for donor/acceptor electron transfer at micelle surfaces. Each micelle supported at most one donor molecule that is photoexcited. It exchanges an electron with any one of a number of acceptors on the same micelle. Experimental results indicated that electron transfer is very sensitive to the molecular level details associated with the micelles' headgroup areas.

Surfaces (Materials), Micelles, Electron paramagnetic resonance, Solvents, Surfaces (Technology)

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Transformed poisson-boltzmann relations and ionic distributions

Article Abstract:

The Poisson-Boatman relation to develop differential equations for ionic distributions and solutions are the integral distribution functions whose derivatives give the charge density functions for counterions and coions. In the presence of added salt separate equations can be derived for the excess charge distributions of counterions and coions.

Density functionals, Ionic solutions, Density-functional theory

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