Resistively heated silicon carbide microreactors are widely applied as continuous sources to
selectively prepare elusive and reactive intermediates with astrochemical, catalytic, or …

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 …

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

The photophysics of the S2 1 (ππ*) state of the polycyclic aromatic nitrogen-containing
hydrocarbon (PANH) quinoline is investigated in a free jet using a picosecond laser system …

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 …

Natural bond orbital (NBO) analyses and dissected nucleus-independent chemical shifts
(NICS π zz) were computed to evaluate the bonding (bond type, electron occupation …

Cyclopropenylidene (c-C3H2), chlorocyclopropenylidene (c-C3HCl), and their deuterated
isotopomers were studied by the threshold photoelectron-photoion coincidence (TPEPICO) …

We report a joint theoretical and experimental study on the photodissociation of the C3H2
isomer propargylene, HCCCH, combining velocity map imaging with nonadiabatic trajectory …

The photoionisation of the C3H2 isomer propargylene was studied using synchrotron
radiation and coincidence techniques. An adiabatic ionisation energy (IEad) of 8.99±0.02 eV …

In this joint experimental and theoretical study we characterize the complete dynamical “life
cycle” associated with the photoexcitation of the singlet carbene cyclopropenylidene to the …