Correlated variational treatment of ionization coupled to nuclear motion: Ultrafast pump and ionizing probe of electronic and nuclear dynamics in LiH
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74 ATOMIC AND MOLECULAR PHYSICS↗
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Results for “Photodissociation”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Nonequilibrium dissociative dynamics of D 2 in two-color, few-photon excitation and ionization
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74 ATOMIC AND MOLECULAR PHYSICS↗
Spectroscopic and Structural Probing of Excited-State Molecular Dynamics with Time-Resolved Photoelectron Spectroscopy and Ultrafast Electron Diffraction
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74 ATOMIC AND MOLECULAR PHYSICS↗
All-XUV Pump-Probe Transient Absorption Spectroscopy of the Structural Molecular Dynamics of Di-iodomethane
Not Available
74 ATOMIC AND MOLECULAR PHYSICS↗
Thermal and photoinduced chemistry of the aromatic Criegee intermediate, benzaldehyde oxide: Implications for indoor air quality
Essential oils contain a complex mixture of volatile organic compounds, ranging from terpenes to aromatics. When released into the indoor air environment or into the atmosphere, they may undergo oxidation to generate complex reactive intermediates that affect indoor air quality. Cinnamaldehyde is one such aromatic molecule that is abundant in essential oils. When released into the indoor air environment, it may undergo oxidation to form a carbonyl oxide (Criegee intermediate) with an aromatic substituent: benzaldehyde oxide. In this manuscript, we present a high-level quantum chemical study that shows that, unlike smaller atmospherically relevant Criegee intermediates, benzaldehyde oxide is expected to undergo solar photolysis on timescales that are competitive with its ground state unimolecular and bimolecular chemistry. We show that aromatic substitution leads to a drastic bathochromic shift in the spectroscopically relevant excited states, revealing that photolysis in the indoor or outdoor environment should not be neglected when modeling the climate and air quality implications of Criegee intermediates with extended conjugation. Here, we predict a range of products that may be important for forming lower volatility compounds via tropospherically relevant photochemistry. To motivate future experimental validation of our results, we propose a viable synthetic procedure of the relevant precursor for generating and stabilizing benzaldehyde oxide.
atmospheric photochemistry↗
Lifetime in space of possible parent molecules of cometary radicals.
Space lifetime of possible parent molecules of radicals in comets estimated from absorption cross sections and solar uv flux
FREE RADICAL↗
Origin of nh/a super 3 pi/-nh/x super 3 sigma-/ emission in comets.
Precursor of emission from NH radicals in comets is hydrazine or hydrazine-type molecule
COMET↗
The approach to nuclear statistical equilibrium.
Nuclear reaction and beta decay rates for silicon 28, considering conditions for nuclear statistical equilibrium in stars
STELLAR EVOLUTION↗
The importance of photoprocessing in protoplanetary disks
Midplane models of protoplanetary disks find that the cold temperatures in the outer parts of the disk ensure that virtually all molecules are accreted onto the grains.
Photoprocessing circumsteller matter photodissocia↗