Al-ethylene complex

In collaboration with Prof. Andrei Vilesov group (USC), we investigate bond activation in prototypical systems, e. g., Al-ethylene clusters.

Changes in ethylene vibrational frequencies induced by the interaction with Al. Note lower frequency of the CC bond—this is a signature of bond activation.

Changes in harmonic frequencies in ethylene

Related Publications

33. A. M. C. Cristian and A. I. Krylov
Electronic structure of the π-bonded Al-C2H4 complex: Characterization of the ground and low-lying excited states
J. Chem. Phys. 118, 10912 – 10918 (2003) Abstract  PDF (106 kB)