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The dissociation dynamics of UV pumped iodothiophene molecules are investigated using velocity map ion imaging, in combination with site-selective extreme ultraviolet ionization of the iodine atom.
We explore time- and momentum-resolved photoelectron diffraction imaging (TMR-PED) to visualize hydrogen dynamics during methanol dication dissociation. Our approach allows real-time tracking of hydrogen migration and molecular fragmentation.
The electronic spectrum of methyl vinyl ketone oxide (MVK-oxide), a four-carbon Criegee intermediate derived from isoprene ozonolysis, is examined on its second π* ← π transition, involving primarily the vinyl group, at UV wavelengths (λ) below 300 nm. A broad and unstructured spectrum is obtained by a UV-induced ground state depletion method with photoionization detection on the parent mass (m/z 86). Electronic excitation of MVK-oxide results in dissociation to O ( 1 D) products that are characterized using velocity map imaging. Electronic excitation of MVK-oxide on the first π* ← π transition associated primarily with the carbonyl oxide group at λ > 300 nm results in a prompt dissociation, and yields broad total kinetic energy release (TKER) and anisotropic angular distributions for the O ( 1 D) + methyl vinyl ketone products. By contrast, electronic excitation at λ ≤ 300 nm results in bimodal TKER and angular distributions, indicating two distinct dissociation pathways to O ( 1 D) products. Furthermore, one pathway is analogous to that at λ > 300 nm, while the second pathway results in very low TKER and isotropic angular distributions indicative of internal conversion to the ground electronic state and statistical unimolecular dissociation.
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Carbon dioxide in a helium buffer at room temperature was irradiated with a photon beam. The wavelengths used in the investigation were in the range from 850 to 1090 A. Phosphorescence from CO Cameron bands was observed. The phosphorescent yield is zero at threshold and increases smoothly to a maximum of about 60% near 900 A. The smoothness of the percentage yield was an unexpected observation and is explained by postulating that the relevant potential surface crossings are outside the Franck-Condon region of carbon dioxide absorption.
The production efficiency was measured with the aid of a method based on the detection of the OI (5577 A) 'green' line. A sodium salicylate screen was used to monitor the intensity of the photons. Measurements at each of several individual wavelengths are conducted. The relative production efficiencies are shown in a graph. The absolute scale for the efficiency was determined in essentially the same way as in the Cameron band work reported by Lawrence (1972).
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The relative efficiencies for two dissociative channels in the vacuum UV photolysis of carbonyl sulphide have been determined using the flash photolysis-resonance fluorescence technique to measure initial yields of atomic oxygen and atomic sulphur. At wavelengths above 105 nm, the dissociation of OCS to form atomic sulphur exceeded that for the formation of atomic oxygen to such an extent that only an upper limit could be placed on the minor process. In addition, the flash photo-excitation of carbonyl sulphide produced a long-lived spontaneous emission in the UV and vacuum UV that might be due to molecular fluorescence from OCS.
The ground state potential energy surface for the dissociation of formaldehyde (H2CO to H2 and CO) is calculated with the ab initio MCSCF method with an extended (4-31G) basis set. The location, barrier height, and force constants of the transition state are determined, and the normal coordinate analysis is carried out. The calculated barrier height is 4.5 eV. Based on the calculated quantities, the detailed mechanism of the photochemical dissociation is discussed.
Simplified methods for calculating the transmission of solar UV radiation and the dissociation coefficients of various molecules are compared. A significant difference sometimes appears in calculations of the individual band, but the total transmission and the total dissociation coefficients integrated over the entire SR (solar radiation) band region agree well between the methods. The ambiguities in the solar flux data affect the calculated dissociation coefficients more strongly than does the method. A simpler method is developed for the purpose of reducing the computation time and computer memory size necessary for storing coefficients of the equations. The new method can reduce the computation time by a factor of more than 3 and the memory size by a factor of more than 50 compared with the Hudson-Mahle method, and yet the result agrees within 10 percent (in most cases much less) with the original Hudson-Mahle results, except for H2O and CO2. A revised method is necessary for these two molecules, whose absorption cross sections change very rapidly over the SR band spectral range.
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The spectra of vacuum ultraviolet (vuv) fluorescence resulting from the excitation of CO2 by photons from an intense line emission source at 15 wavelengths in the range 449-955 A were obtained. The vibrational population distributions for the v = 0, 1, and 2 levels of the CO(A 1Pi) fragments were obtained at several incident photon wavelengths from 700 to 923 A. At incident photon wavelengths of 901 and 923, the relative intensities of the CO(A to X) bands were determined, permitting examination of the variation of the electronic transition moment with the r centroid.