High-resolution photoelectron spectra of the gas phase pyrimidine-type nucleobases, thymine, uracil, and cytosine, were collected using synchrotron radiation over the photon energy range 17 ≤ hν ≤ 150 eV. These data provide the highest resolution photoelectron spectra of thymine, uracil, and cytosine published to date. By comparing integrated regions of the energy dependent photoelectron spectra of thymine, the ionization potentials of the first four ionic states of thymine were estimated to be 8.8, 9.8, 10.3, and 10.8 eV. The thymine data also show evidence for low energy shape resonances in three of the outermost valence electronic states. Comparing the uracil spectrum with the thymine spectrum, the four outermost valence electronic states of uracil likely begin at binding energies 9.3, 9.9, 10.5, and 11.0 eV. High-resolution spectra indicate only one tautomeric form of cytosine contributes significantly to the spectrum with the four outermost valence electronic states beginning at binding energies 8.9, 9.9, 10.4, and 10.85 eV.

Absolute single photoionization cross section measurements for Br 3+ ions are reported in the photon energy range 44.79-59.54 eV at a photon energy resolution of 21±3 meV. Measurements were performed at the Advanced Light Source at Lawrence Berkeley National Laboratory using the merged-beams technique. Numerous resonance features in the experimental spectrum are assigned and their energies and quantum defect values are tabulated. The crosssection measurements are also compared with Breit-Pauli R-matrix calculations with suitable agreement over the photon energy range investigated. Analysis of the measured spectrum including Rydberg resonance series identifications produced a new emperical determination of the ionizational potential of Br 3+ of 46.977±0.050 eV, which is 805 meV lower than the most recently published value of 47.782 eV. This disparity between our determination and the earlier published value is similar to an 843 meV shift in the accepted ionization potential published for iso-electronic Se 2+ as part of this same research program.

The interband transitions of holes in tellurium by absorption experiments are investigated in the energy range 100 to 170 meV on variously doped single crystals (lo1* to 5 x 1017 holes/cm3) between 1.6 and 77 "K. Calculations of the absorption spectrum due to the direct inter-valence band transitions are performed, using for the two split valence bands the dispersion relation e ( K ) = -a ki -b k l 5 VJ.2 + 2 a J. to k:. Theoretical

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A fundamental challenge underlying the design principles of ionic liquids (ILs) entails a lack of understanding into how tailored properties arise from the molecular framework of the constituent ions. Herein, we present detailed analyses of novel functional ILs containing a triarylmethyl (trityl) motif. Combining an empirically driven molecular design, thermophysical analysis, X-ray crystallography, and computational modeling, we achieved an in-depth understanding of structure–property relationships, establishing a coherent correlation with distinct trends between the thermophysical properties and functional diversity of the compound library. We observe a coherent relationship between melting (T m) and glass transition (T g) temperatures and the location and type of chemical modification of the cation. Furthermore, there is an inverse correlation between the simulated dipole moment and the T m/T g of the salts. Specifically, chlorination of the ILs both reduces and reorients the dipole moment, a key property controlling intermolecular interactions, thus allowing for control over T m/T g values. The observed trends are particularly apparent when comparing the phase transitions and dipole moments, allowing for the development of predictive models. Ultimately, trends in structural features and characterized properties align with established studies in physicochemical relationships for ILs, underpinning the formation and stability of these new lipophilic, low-melting salts.

Recent magneto‐optical results obtained in the energy range 100 to 170 meV, for ϵ ‖ c and H ⊥ c, are reported and analysed. Transitions of holes from acceptor states and transitions of holes from the first Landau level of the M band to the quantum levels of the M′1 band are identified by investigating the temperature dependence of the magnetoabsorption lines between 2 and 10°K. Calculations of the energies and intensities of the intervalence band magneto‐optical transitions are performed. The comparison of theoretical and experimental data enables one to determine the parameters of the valence band. The fine structure of magnetoabsorption spectra investigated by wavelength modulation technique indicates the existence of several impurity states. The binding energy of the acceptor ground state is estimated to be about 1.4 meV.

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The vibrational branching ratios in the photoionization of acrolein for ionization leading to the X̃²A' ion state were studied. Computed logarithmic derivatives of the cross section and the corresponding experimental data derived from measured vibrational branching ratios for several normal modes (ν9, ν10, ν11, and ν12) were found to be in relatively good agreement, particularly for the lower half of the 11-100 eV photon energy range considered. Two shape resonances have been found near photon energies of 15.5 and 23 eV in the photoionization cross section and have been demonstrated to originate from the partial cross section of the A' scattering symmetry. The wave functions computed at the resonance complex energies are delocalized over the whole molecule. By looking at the dependence of the cross section on the different normal mode displacements together with the wave function at the resonant energy, a qualitative explanation is given for the change of the cross sections with respect to changing geometry.