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The ionospheric O+ number density can be measured remotely during the day by observing its optically thick 83.4 nm radiance. Some ambiguity is present in the process of retrieving the density due to uncertainties in the initial excitation rate. This can be removed by observing a companion optically thin emission at 61.7 nm originating from the O+(3s 2P) state, providing that the ratio of the initial excitation rates is known. Analyses of ICON EUV data using an 83.4/61.7 emission ratio of order 10 result in O+ densities lower by ∼2 than other measurements. Key to relating the two emissions is accurate knowledge of the partial photoionization cross sections and the spectroscopy of O+—the topic of this paper. Up to now, no independent evaluation of the ratio of the 83.4/61.6 emission ratio exists. The recent availability of state‐of‐the‐art calculations of O partial photoionization cross sections into a variety of O+ states presents an opportunity to evaluate the O+(2p44P)/O+(3s 2P) ionization rate ratio. We calculate excitation of these parent states of the emissions including both direct and cascade excitation from higher lying O+ energy states. The resulting theoretical prediction gives ratios that range from 13.5 to 12 from solar minimum to maximum, larger than the value of 10 used by the ICON 83.4 and 61.7 nm algorithm. The higher theoretical values for the ratio reconcile the ∼2 discrepancy between simultaneous ICON and other electron density measurements. Key Points: OII 83.4 and 61.7 nm emission rates are being used for remote sensing of O+ in the daytime ionosphereNew O partial photoionization cross sections predict higher than currently used values for the 83.4/61.7 nm volume emission rate ratioThe higher theoretical values of the 83.4/61.7 nm ratio reconcile discrepancies between ICON and other simultaneous observations [ABSTRACT FROM AUTHOR]

A method for generating twisted gamma rays utilizing highly accelerated helium‐like ions is presented. These ions are excited to a predetermined state by irradiating two optical lasers and emit a photon with orbital angular momentum in the deexcitation process. Accordingly, its emission rate together with other properties such as background and photo‐ionization processes is studied. [ABSTRACT FROM AUTHOR]

Optically active small organic molecules are computationally designed using the ChemTS python library developed by Tsuda and collaborators, which utilizes a combined Monte Carlo tree search (MCTS) and recurrent neural network model. Geometry optimization and excited‐state calculations are performed for each generated molecule, following which the excitation energy and dissymmetry factors are computed to evaluate the score function in the MCTS process. Using this procedure, molecules not contained in existing databases are generated. Molecules having either high dissymmetry factors or high transition dipole strengths can be generated depending on the choice of the score function. In a single trajectory with 100,000 trials, mutually similar high‐scoring molecules are generated frequently after the initial 15,000–20,000 trials. This indicates that it is better to sample high‐scoring molecules from several trajectories having a modest number of trials each than from a single trajectory having a large number of trials. [ABSTRACT FROM AUTHOR]

Elastic organic crystals have attracted considerable attention as next‐generation flexible smart materials. However, the detailed information on both molecular packing change and macroscopic mechanical crystal deformations upon applied stress is still insufficient. Herein, we report that fluorescent single crystals of 9,10‐dibromoanthracene are elastically bendable and stretchable, which allows a detailed investigation of the deformation behavior. We clearly observed a Poisson effect for the crystal, where the short axes (b and c‐axes) of the crystal are contracted upon elongation along the long axis (a‐axis). Moreover, we found that the Poisson's ratios along the b‐axis and c‐axis are largely different. Theoretical molecular simulation suggests that the tilting motion of the anthracene may be responsible for the large deformation along the c‐axis. Spatially resolved photoluminescence (PL) measurement of the bent elastic crystals reveals that the PL spectra at the outer (elongated), central (neutral), and inner (contracted) sides are different from each other. [ABSTRACT FROM AUTHOR]

Abstract: Optical activity in inorganic colloidal materials was controlled through interactions of chiral molecules with the nanoparticle (NP) surface. An inversion of optical activity in the synthesis of mercury sulfide (HgS) NPs was demonstrated with an intrinsically chiral crystalline system in the presence of an identical chiral capping ligand. A continuous decrease in the positive first Cotton effect and an eventual reversal of CD profile were observed upon heating the aqueous solution of HgS NPs capped with N‐acetyl‐ l‐cysteine (Ac‐ l‐Cys) at 80 °C. Ac‐ l‐Cys afforded two bidentate coordination configurations with an almost mirror image of each other using the thiolate and either of carboxylate or acetyl–carbonyl groups on the HgS core. Experiment and calculation suggest that a shift in the distribution of the NP formation with energy in response to the combinations of ligand coordination structure and chiral crystalline surface is responsible for the inversion of optical activity. [ABSTRACT FROM AUTHOR]