Dr. Hao Yan - Compressive Mechanochemistry of Molecular Compounds скачать в хорошем качестве

Dr. Hao Yan - Compressive Mechanochemistry of Molecular Compounds

In this talk, I will discuss the reactivity of molecular compounds under mechanical compression. Because of the anisotropic nature of molecules, they often deform in highly directional ways under hydrostatic (that is, uniform and static) pressure. In analogy to the Bell theory of tensile (“pulling force”) driven mechanochemistry, we postulate that such directional deformations reduce the reorganization energy if they are aligned with a specific reaction coordinate of the molecule. We examine this postulate in several model systems including the topochemical polymerization of diynes and isomerization of metal oxo complexes. We further show that pressure encodes unique reaction selectivity by limiting the accessible conformations of the reactants. Lastly, I will share our prospects on using pressure for the quasi-static mapping of reaction pathways.