Tuning Triplet Exciton Pathways via Molecular Aggregation in a Family of Coordination Polymers

Tuning Triplet Exciton Pathways via Molecular Aggregation in a Family of Coordination Polymers

Molecular aggregation is the key factor in determining the triplet exciton pathways of room-temperature phosphorescence (RTP) materials; however, controlling different aggregation forms and understanding their synergistic effects remain challenging. In this work, we report three coordination polymer...

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Detalles Bibliográficos
Autor Principal: Rui Feng (186408) (author)
Outros autores: Zi-Ying Li (8932241) (author), Shi-Shuang Huang (19751845) (author), Mei-Hui Yu (3355967) (author), Fengxia Wei (1411588) (author), Jingwei Hou (832762) (author), Wei Li (7081) (author), Xian-He Bu (1605673) (author)
Publicado: 2025
Subjects:
Biophysics
Biochemistry
Medicine
Neuroscience
Cancer
Space Science
Chemical Sciences not elsewhere classified
Physical Sciences not elsewhere classified
theoretical analysis demonstrate
resolved emission spectroscopy
pyridyl )- 1
pyridine ­ dicarboxylate
enhanced charge migration
enabling distinct fluorescent
differentiated orbital energies
manipulating molecular aggregation
associated optical properties
staggered translational stacking
x aggregation ):
cofacial translational stacking
aggregation ), cofacial
2 </ sub
2 </ b
triplet exciton pathways
3 </ b
pyc )< sub
cofacial translational
exciton pathways
)< sub
crossing stacking
j aggregation
aggregation modes
triazine ),
photochromic properties
designated triplet
crystal x
(< b
temperature phosphorescence
separated photochromism
ray diffraction
key factor
findings provide
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Descripción
Summary:Molecular aggregation is the key factor in determining the triplet exciton pathways of room-temperature phosphorescence (RTP) materials; however, controlling different aggregation forms and understanding their synergistic effects remain challenging. In this work, we report three coordination polymers (CPs) with cofacial translational stacking (H-aggregation), cofacial-staggered translational stacking (H-J aggregation) and cofacial translational-crossing stacking (H-X aggregation): [Zn(3,4-PyDC)​(TPT)]·TPT (<b>1</b>; 3,4-PyDC = 3,4-pyridine­dicarboxylate; TPT = 2,4,6-tri(4-pyridyl)-1,3,5-triazine), [Zn(IPA)​(TPT)<sub>2</sub>]·H<sub>2</sub>O (<b>2</b>; IPA = isophthalate) and [Zn<sub>3</sub>(3,5-PyC)<sub>2</sub>­(TPT)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>] (<b>3</b>; 3,5-PyC = 3,5-pyrazole­dicarboxylate). By changing the aggregation modes, these CPs exhibit tunable triplet exciton pathways, enabling distinct fluorescent, phosphorescent, and photochromic properties. Single-crystal X-ray diffraction, time-resolved emission spectroscopy and theoretical analysis demonstrate that enhanced charge migration in <b>2</b> with H-J aggregation promotes charge-separated photochromism, while differentiated orbital energies in <b>3</b> with H-X aggregation enables wavelength-responsive room temperature phosphorescence. These findings provide a route to hybrid CPs with designated triplet-exciton pathways and associated optical properties by manipulating molecular aggregation.

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