Fig. 3: Observation of electronic and vibrational dynamics in gas-phase pyrazine and their dephasing in aqueous solution.
From: Electronic dynamics created at conical intersections and its dephasing in aqueous solution
a,c, Populations of the diabatic 1B2u(ππ*), 1B3u(nπ*) and 1Au(nπ*) states based on FSSH trajectories for the gas phase (a) and solution phase (c). b, Time-dependent ΔOD of gaseous pyrazine for the bands centred at 399.5 and 401.0 eV. According to calculation results shown in Fig. 2b, these bands are associated with the 1Au(nπ*) and 1B3u(nπ*) characters, respectively. d, Time-dependent ΔOD of 5 M aqueous pyrazine for the bands centred at 396.2 and 402 eV. According to calculation results shown in Fig. 2f, these bands are associated with the 1Au(nπ*) character and 1B3u(nπ*) characters, respectively. The error bars indicate the measured standard deviations over 12 and nine sets of scans for the gas- and solution-phase measurements, respectively.
