Science Advances · 2023 · 19 citations · 39 references
Natural SciencesChemistryOceanographyAtmospheric ChemistryAtmospheric RadiationAtmospheric ScienceAtmospheric AbsorptionMarine Atmospheric ChemistryPhotochemical KineticsPhotochemistryUltraviolet SpectroscopyVolatile Organic CompoundsAbsorption Cross SectionsFatty AcidsOrganic AerosolsPhotochemical ReactionsPhotolysisPhotolysis ProcessesSaturated Fatty AcidsSolar Ultraviolet Radiation Effects
Saturated fatty acids are abundant organic compounds in oceans and sea sprays. Their photochemical reactions induced by solar radiation have recently been found as an abiotic source of volatile organic compounds, which serve as precursors of secondary organic aerosols. However, photoabsorption of wavelengths longer than 250 nanometers in liquid saturated fatty acids remains unexplained, despite being first reported in 1931. Here, we demonstrate that the previously reported absorption of wavelengths longer than 250 nanometers by liquid nonanoic acid [CH 3 (CH 2 ) 7 COOH)] originates from traces of impurities (0.1% at most) intrinsically contained in nonanoic acid reagents. Absorption cross sections of nonanoic acid newly obtained here indicate that the upper limit of its photolysis rate is three to five orders of magnitude smaller than those for atmospherically relevant carbonyl compounds.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Density-Functional Theory for Time-Dependent Systems
Erich Runge, E. K. U. Gross · Physical Review Letters · 1984 · 8.8K citations