Vibrational dynamics and energy flow in a multi-mode organometallic compound

We present classical and quantum mechanical calculations on the vibrational dynamics of an organometallic fragment. Using data from Raman measurements a simple potential energy surface is constructed for the electronic ground state. The excitation with strong infrared femtosecond laser pulses is simulated. The transfer of vibrational energy between different modes which takes place after the field-molecule interaction is investigated. It is shown that energy can be exchanged between certain bonds while others are almost completely decoupled.