The influence of
oriented electric fields on chemical reactivity
and photochemistry is an area of increasing interest. Within a molecule,
different protonation sites offer the opportunity to control the location
of charge and thus orientation of electric fields. New techniques
are thus needed to discriminate between protonation isomers in order
to understand this effect. This investigation reports the UV-photodissociation
action spectroscopy of two protonation isomers (protomers) of 1,3-diazanaphthalene
(quinazoline) arising from protonation of a nitrogen at either the
1- or 3-position. It is shown that these protomers are separable by
field-asymmetric ion mobility spectrometry (FAIMS) with confirmation
provided by UV-photodissociation (PD) action spectroscopy. Vibronic
features in the UVPD action spectra and computational input allow
assignment of the origin transitions to the S1 and S5 states of both protomers. These experiments also provide
vital benchmarks for protomer-specific calculations and examination
of isomer-resolved reaction kinetics and thermodynamics.
The low-lying electronic states of Irgacure 2959, a Norrish-type I photoinitiator, complexed with a single metal cation are investigated in the gas-phase by photodissociation action spectroscopy. Analysis of the band-shifts using quantum chemical calculations (TD-DFT and SCS-CC2) reveals the underlying influence of the charge on the key electronic energy levels. Since the
Ultraviolet-photodissociation (UVPD) mass spectrometry is an emerging analytical tool for structural elucidation of biomolecules including lipids. Gas phase UVPD of ionised fatty acids (FAs) can promote fragmentation that is diagnostic...
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