2021
DOI: 10.1039/d1sc01175h
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Efficient and organic host–guest room-temperature phosphorescence: tunable triplet–singlet crossing and theoretical calculations for molecular packing

Abstract: Organic host-guest doping materials with room temperature phosphorescence (RTP) phenomenon have attracted considerable attention. However, it was still challenging to investigate their corresponding luminescence mechanism, because host-guest system very difficult...

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Cited by 107 publications
(108 citation statements)
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“…S4), which is in line with our previous works. [40][41][42][43] Four other guest-host materials (MOPy/BPO, MAPy/BPO, DMOPy /BPO, and DMAPy/BPO, Fig. 1a) with the guest-host molar ratio of 1:1000 were further prepared, and the luminescence characteristics of the host-guest systems were systematically investigated.…”
Section: Resultsmentioning
confidence: 99%
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“…S4), which is in line with our previous works. [40][41][42][43] Four other guest-host materials (MOPy/BPO, MAPy/BPO, DMOPy /BPO, and DMAPy/BPO, Fig. 1a) with the guest-host molar ratio of 1:1000 were further prepared, and the luminescence characteristics of the host-guest systems were systematically investigated.…”
Section: Resultsmentioning
confidence: 99%
“…Therefore, we simulated the molecular conformations of Py molecules in the BPO matrix using MD simulations. 41 The Starting from the initial Py/BPO configuration, we perform further 10 ns production MD simulations to relax the whole guest-host system using GROMACS software package (version 5.1.5, details in SI). Compared with the conformations of BPO molecules in single crystal, the corresponding conformations of the BPO molecules adjacent to the guest Py molecule in Py/BPO guest-host system is slightly different because the twisted angles increases slightly after doping (Fig.…”
Section: Resultsmentioning
confidence: 99%
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