Abstract Structure and dynamics of electronic excited states of molecular systems is of
contemporary interest to understand a rich variety of processes ranging from molecular …

The addition of fluorine atoms to an aromatic ring brings about an additional set of π-
bonding and antibonding orbitals culminating after the addition of the sixth fluorine with a …

The sequentially fluorinated ferrocenes (1-, 1, 2-di, 1, 2, 3-tri, 1, 2, 3, 4-tetra and 1, 2, 3, 4, 5-
pentafluoroferrocene) have been synthesized from ferrocene. Rather than a 'perfluoro'effect …

A small series of partially alkylated Bodipy dyes were prepared containing Fn-aryl (n= 1, 2,
3, 5) groups at the meso position. The effect of increasing the number of fluorines, and their …

Starting from ferrocene, pentafluoroferrocene [Fe (C5F5)(C5H5)] can be prepared in five
steps via a one-pot lithiation–electrophilic fluorination strategy. Pentafluoroferrocene was …

Full dimensional multilayer multiconfiguration time-dependent Hartree (ML-MCTDH)
calculations of the dynamics of the three difluorobenzene cationic isomers in five lowest …

The dynamics of pentafluorobenzene after femtosecond laser excitation to the optically
bright ππ* first excited electronic state have been investigated by femtosecond time-resolved …

Combined theoretical and experimental study of the valence, Rydberg, and ionic states of
chlorobenzene | The Journal of Chemical Physics | AIP Publishing Skip to Main Content …

We recently implemented our parallelized quantum-classical dynamical approach, known as
the Time-Dependent Discrete Variable Representation (TDDVR) method, which is applied to …

A theoretical study of the photoabsorption spectroscopy of hexafluorobenzene (HFBz) is
presented in this paper. The chemical effect due to fluorine atom substitution on the …