The Reversible Electron Transfer Within Stimuli-Responsive Hydrochromic Supramolecular Material Containing Pyridinium Oxime and Hexacyanoferrate (II) Ions.

The structural and electronic features of the stimuli-responsive supramolecular inter-ionic charge-transfer material containing electron accepting -benzylyridinium-4-oxime cation (BPA4) and electron donating hexacyanoferrate (II) are reported. The study of reversible stimuli-induced transformation between hydrated reddish-brown (BPA4)[Fe(CN)]·10HO and anhydrous blue (BPA4)[Fe(CN)] revealed the origin of observed hydrochromic behavior. The comparison of the crystal structures of decahydrate and anhydrous phase showed that subsequent exclusion/inclusion of lattice water molecules induces structural relocation of one BPA4 that alter the donor-to-acceptor charge-transfer states, resulting in chromotropism seen as reversible reddish-brown to blue color changes.

Neutral rhodol-based dyes expressing localization in mitochondria.

Neutral rhodol-based red emitters are shown to efficiently localize in mitochondria, as demonstrated by confocal microscopy and co-localization studies. A simple model is proposed to explain the localization mechanism of neutral molecules. The model takes into account the strong coupling between the molecular dipole moment and the electric field of the inner mitochondrial membrane.

Photoinduced Desorption Dynamics of CO from Pd(111): A Neural Network Approach.

Modeling the ultrafast photoinduced dynamics and reactivity of adsorbates on metals requires including the effect of the laser-excited electrons and, in many cases, also the effect of the highly excited surface lattice. Although the recent ab initio molecular dynamics with electronic friction and thermostats, (,)-AIMDEF [Alducin, M.; 2019, 123, 246802], enables such complex modeling, its computational cost may limit its applicability.