München 2004 – scientific programme

Parts | Days | Selection | Search | Downloads | Help

MO: Molekülphysik

MO 5: Theorie I

MO 5.2: Talk

Monday, March 22, 2004, 14:15–14:30, HS 355

On the Coupling of Mechanical and Chemical Energy: Proton Affinity as a Function of External Force — •Martin K. Beyer — Institut für Physikalische und Theoretische Chemie, TU München, Lichtenbergstr. 4, 85747 Garching

The proton affinity as a function of an external mechanical force is defined, and its applicability as a chemical concept is explored [1]. It is shown with the help of density functional calculations that forces in the sub-nN to nN range change the proton affinity of small model molecules by values ranging from kT up to several 10 kJ mol⁻¹, which suggests that these affinity changes are chemically significant.

[1] M. K. Beyer, Angew. Chem. 115, 5062 (2003); Angew. Chem. int. Ed. 42, 4913 (2003).