Analyzing intramolecular vibrational energy redistribution via the overlap intensity-level velocity correlator

Supporting Information Solvent-Hindered Intramolecular Vibrational Redistribution

Intramolecular vibrational energy redistribution in bridged azulene-anthracene compounds: ballistic energy transport through molecular chains.

Intramolecular vibrational energy flow in excited bridged azulene-anthracene compounds is investigated by time-resolved pump-probe laser spectroscopy. The bridges consist of molecular chains and are of the type (CH(2))(m) with m up to 6 as well as (CH(2)OCH(2))(n) (n=1,2) and CH(2)SCH(2). After light absorption into the azulene S(1) band and subsequent fast internal conversion, excited molecule...

Intramolecular vibrational energy redistribution as state space diffusion: classical-quantum correspondence.

We study the intramolecular vibrational energy redistribution (IVR) dynamics of an effective spectroscopic Hamiltonian describing the four coupled high frequency modes of CDBrClF. The IVR dynamics ensuing from nearly isoenergetic zeroth-order states, an edge (overtone) and an interior (combination) state, is studied from a state space diffusion perspective. A wavelet based time-frequency analys...

Ultrafast dynamics through conical intersections and intramolecular vibrational energy redistribution in styrene.

We report a femtosecond time-resolved photoelectron spectroscopy (TRPES) investigation of internal conversion in the first two excited singlet electronic states of styrene. We find that radiationless decay through an S(1)/S(0) conical intersection occurs on a timescale of ∼4 ps following direct excitation to S(1) with 0.6 eV excess energy, but that the same process is significantly slower (∼20 ...

Quantum dynamics study of fulvene double bond photoisomerization: the role of intramolecular vibrational energy redistribution and excitation energy.

The double bond photoisomerization of fulvene has been studied with quantum dynamics calculations using the multi-configuration time-dependent Hartree method. Fulvene is a test case to develop optical control strategies based on the knowledge of the excited state decay mechanism. The decay takes place on a time scale of several hundred femtoseconds, and the potential energy surface is centered ...