Photodissociation of aniline N-H bonds in clusters of different nature

Physical Chemistry Chemical Physics : PCCP
V PoteryaM Fárník

Abstract

We investigated the solvent effects on the N-H bond photodisociation dynamics of aniline (PhNH2) in clusters using velocity map imaging (VMI). The VMI experiment was accompanied by a time-of-flight mass spectrometry after electron ionization to reveal the cluster nature. The H-fragment images were recorded at 243 nm in various expansion regimes corresponding to different species: isolated molecules; small (PhNH2)N, N ≤ 3, clusters; larger (PhNH2)N, N ≥ 10; small mixed PhNH2·(H2O)N, N ≤ 10, clusters; and individual PhNH2 molecules deposited on large (H2O)N, N̄ = 430. The H-fragment kinetic energy distributions exhibit fast fragments around 0.8 eV (A) assigned previously to a direct dissociation along a repulsive πσ* state potential, and slow statistical fragments peaking near 0.2 eV (B). In the aniline clusters the contribution of fast fragments (A) decreases relatively to (B) with increasing cluster size. A similar effect is observed when aniline is solvated with water molecules. The experimental data are interpreted with ab initio calculations. Cluster structures were calculated with both N-H bonds of an aniline molecule participating in hydrogen bonding, as well as the ones with free N-H bonds. The latter ones yield preferent...Continue Reading

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Citations

Jan 20, 2016·The Journal of Physical Chemistry. a·Peter RubovičMichal Farnik
Jul 28, 2015·The Journal of Physical Chemistry. a·Andriy PysanenkoMichal Fárník
Jun 4, 2016·The Journal of Physical Chemistry. a·Kateryna GrygoryevaMichal Fárník
Jul 9, 2016·The Journal of Physical Chemistry Letters·Raúl MonteroAsier Longarte
Jan 19, 2017·The Journal of Physical Chemistry. a·Andriy PysanenkoMichal Fárník
Nov 28, 2017·Mass Spectrometry Reviews·Michal Fárník, Jozef Lengyel
Jan 24, 2019·Physical Chemistry Chemical Physics : PCCP·Raúl MonteroAsier Longarte
Oct 17, 2019·The Journal of Chemical Physics·Wan Ru JhangChien-Ming Tseng
Jul 10, 2017·The Journal of Chemical Physics·K GrygoryevaM Fárník
Sep 1, 2020·The Journal of Physical Chemistry. a·Ivo Stanislav VinklárekMichal Fárník

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