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• W2095757673 abstract "Anthracene is a typical example of organic molecular crystals for the study of charge carrier states. The weakness of van der Waals intermolecular interaction makes the molecular properties dominant over the crystalline ones, which leads to localized charge states in molecular crystals. The localized charge carrier polarizes the subsystems of the surrounding lattice, where a polaron-like particle emerges due to many-electron interactions in the crystals. As it provides a unique environment to investigate the physics of polaron, the organic molecular crystal has been a subject of extensive studies. In particular, the study of anthracene anion clusters, as a microscopic model of charge localization, will contribute to understand the nature of polaron in organic molecular crystals. Despite numerous studies for the core structures of aromatic cation and neutral clusters, little has been investigated for those of anion clusters. Recently, the multiple ion cores and switching of ion cores in the anthracene anion clusters, Ann − (n = 1-16), were investigated by anion photoelectron spectroscopy and theoretical calculations. The study revealed that a few different ion cores exist depending on the cluster size. The character of ion core changes from monomeric to dimeric to trimeric, as the size increases from n = 1 to 3. For n = 4, coexistence of two ion cores was proposed to account for the anomalous shape of the photoelectron spectrum, which were tentatively assigned as dimeric and trimeric ion cores. Due to lack of further information, the explanation could be mainly deduced from the optimized geometries of neutral clusters. The ion core becomes monomeric again at n = 5 with the completion of half-filled solvation shell. It remains still unclear what ion cores represent the unexpected photoelectron spectrum at n = 4. In this Note, we revisit the ion core structures at n = 4, and report a few ion core structures found in the stable geometries at n = 4. Figure 1 shows the photoelectron spectra of Ann − (n = 15), which are fitted with Gaussian profiles representing the vibration progression of the v6 mode of An molecule. The vertical detachment energies (VDEs) obtained from the fitting are presented as solid bars. As previously reported, the spectral shape of An4 − is distinctly different from those of the others. The anomalous shape is deconvoluted into two separate vibrational progressions with different Figure 1. Photoelectron spectra of anthracene cluster anions, Ann −" @default.
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• W2095757673 date "2006-09-20" @default.
• W2095757673 modified "2023-10-02" @default.
• W2095757673 title "Ion Core Structures in Anthracene Anion Tetramers" @default.
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• W2095757673 doi "https://doi.org/10.5012/bkcs.2006.27.9.1453" @default.
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