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.
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
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