In our effort to implement the mechanical force used to activate single molecules in
mechanochemistry in the context of conceptual density functional theory, we present a …

The photodissociation dynamics of the C 8 H 9 isomers ortho-and para-xylyl are investigated
in a free jet. The xylyl radicals are generated by flash pyrolysis from 2-(2-methylphenyl)-and …

Reactive hydrocarbon molecules like radicals, biradicals, and carbenes are not only key
players in combustion processes and interstellar and atmospheric chemistry but also …

Recent experimental and computational advances have heralded huge progress in the
range and the detail of the database pertaining to photoinduced C–H bond fission …

Nucleophilicities for a range of simple carbene molecules acting as hydrogen bond
acceptors B in forming complexes B⋯ HX are reported. The carbenes chosen to fulfil the …

We report a joint experimental and theoretical study on the photoinitiated ultrafast dynamics
of acrylonitrile (AN) and two methylated analogs: crotonitrile (CrN) and methacrylonitrile …

We report the determination of the absolute photoionization cross section of
cyclopropenylidene, c-C3H2, and the heat of formation of the C3H radical and ion derived …

We investigate the photodynamics of the 2-methylallyl radical by femtosecond time-resolved
photoelectron imaging. The experiments are accompanied by field-induced surface hopping …

We present a joint experimental and computational study of the nonradiative deactivation of
the benzyl radical, C7H7, after UV excitation. Femtosecond time-resolved photoelectron …

Halogen-containing radicals play a key role in catalytic reactions leading to stratospheric
ozone destruction, thus their photochemistry is of considerable interest. Here we investigate …