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Herein, we present a new strategy in which highly emissive thermally activated delayed fluorescence (TADF) materials can be obtained from modifying or tuning a non-TADF donor (D) acceptor (A)-type organic molecule via coordination of the metal ionic fragment. Theoretical calculation and photophysical properties reveal that the D A-type free ligand emits both weak fluorescence and dual room-temperature phosphorescence, whereas the two Ag(I) complexes display efficient blue TADF, exhibiting photoluminescence quantum yields nearly 100% in films with short decay lifetimes (tau approximate to 6 mu s). This is attributed to the four optimized parameters induced by Ag(I) coordination: (1) narrow singlet (S-1)-triplet (T-1) energy gaps (Delta E-ST). (2) T-1 states have a hybrid local excitation and charge transfer (CT) character, and S-1 states have a predominant CT character. Both the parameters facilitate reverse intersystem crossing. (3) Radiative rate constant (k(T(S1 -> S0))) is increased. (4) Molecular rigidity is strengthened. For the first time, this work shows a powerful method to design efficient ligand-centered TADF in Ag(I) complexes based on the conventional D-A-type molecule, which significantly enriches the chemical space for the development of TADF materials.
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CHEMISTRY OF MATERIALS
ISSN: 0897-4756
Year: 2020
Issue: 1
Volume: 32
Page: 620-629
9 . 8 1 1
JCR@2020
7 . 2 0 0
JCR@2023
ESI Discipline: MATERIALS SCIENCE;
ESI HC Threshold:196
JCR Journal Grade:1
CAS Journal Grade:2
Cited Count:
SCOPUS Cited Count: 36
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 2
Affiliated Colleges: