Assignment of carotene S* state features to the vibrationally hot ground electronic state

Assignment of carotene S* state features to the vibrationally hot ground electronic state.

The so-called S* state has been suggested to play an important role in the photophysics of beta-carotene and other carotenoids in solution and photosynthetic light-harvesting complexes, yet its origin has remained elusive. The present experiments employing temperature-dependent steady-state absorption spectroscopy and ultrafast pump-supercontinuum probe (PSCP) transient absorption measurements ...

Collisional relaxation of apocarotenals: identifying the S* state with vibrationally excited molecules in the ground electronic state S(0)*.

In recent work, we demonstrated that the S* signal of β-carotene observed in transient pump-supercontinuum probe absorption experiments agrees well with the independently measured steady-state difference absorption spectrum of vibrationally hot ground state molecules S0* in solution, recorded at elevated temperatures (Oum et al., Phys. Chem. Chem. Phys., 2010, 12, 8832). Here, we extend our sup...

State Assignment by One-hot Retiming/reencoding

Dissociative electron attachment to vibrationally excited H2 molecules involving the resonant Rydberg electronic state

Article history: Available online 14 May 2011

What is the ground electronic state of KO?

High-level, restricted coupled cluster with singles, doubles, and perturbative triples calculations are performed to determine the ground electronic state of KO. In the absence of spin–orbit coupling, we find that the ground state is a S state, with a P state lying just over 200 cm higher in energy. We ascertain that basis set extension, higher-order correlation energy, mass-velocity, and Darwi...