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Mechanism of Large Stokes Shift and Aggregation-Enhanced Emission of Osmapentalyne Cation in Solution: Combined MD Simulations and QM/MM Calculations

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Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP03800F, Paper
Guang-Xu Sun, Ming-Gang Ju, Hang Zang, Yi Zhao, WanZhen Liang
Osmapentalyne cations synthesized recently show remarkable optical properties, such as near-infrared emission, unusual large Stokes shift and aggregation-enhanced emission. Here, the mechanisms behind those novel optical behaviors are revealed from...
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