SEMINAR

Acid-base Phenomena in Solutions and Solids: the Data of Quantum-chemical Calculations

Department of Chemistry
Jackson State University
and
Ukrainian Academy of Sciences

ABSTRACT

The current performance of the modern quantum-chemical methods allows to calculate and to predict with the experimental accuracy the most important properties of isolated (placed in a gas phase) molecules existing in the ground state. However, the most chemical and physical-chemical experiments take place in the liquid phase or on the surfaces of different substances. Both these factors are able to produce the dramatic changes due to the formation of the intermolecular solvated or adsorbed complexes.

The lecture will be subdivided into two parts. The following acid-base phenomena will be discussed.

In solutions:
1. Related stability of the different forms of protonated ethylene
2. Related stability of the diffrent forms of protonated benzene
3. Related stability of H3O+ and H2O5+ ions
4. Protolytic dissociation of HCl
5. Proton transfer and relative stability in guanine and cytosine

On the surface:
1. The interaction of the water molecules with the Bronsted sites of zeolites
2. The interaction of the surface of the clay minerals with water molecules
3. The interaction of silica surface with water molecules.

WHERE: TEC 251

WHEN(day): Friday, October 16th, 1998

WHEN(time): 2:00pm

EVERYBODY IS INVITED