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- W3171584180 endingPage "1637" @default.
- W3171584180 startingPage "1631" @default.
- W3171584180 abstract "Abstract Herein we demonstrate the prowess of the 3D electron diffraction approach by unveiling the structure of terrylene, the third member in the series of peri ‐condensed naphthalene analogues, which has eluded structure determination for 65 years. The structure was determined by direct methods using electron diffraction data and corroborated by dispersion‐inclusive density functional theory optimizations. Terrylene crystalizes in the monoclinic space group P 2 1 / a , arranging in a sandwich‐herringbone packing motif, similar to analogous compounds. Having solved the crystal structure, we use many‐body perturbation theory to evaluate the excited‐state properties of terrylene in the solid‐state. We find that terrylene is a promising candidate for intermolecular singlet fission, comparable to tetracene and rubrene." @default.
- W3171584180 created "2021-06-22" @default.
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- W3171584180 date "2021-06-30" @default.
- W3171584180 modified "2023-09-25" @default.
- W3171584180 title "3D Electron Diffraction Structure Determination of Terrylene, a Promising Candidate for Intermolecular Singlet Fission" @default.
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