Skip to content
DraconiticResearch
Search Sources API
203,948 studies31 sourcesUpdated 22 min ago
Peer-reviewedCC BY-NC 3.0Chemical Science

Modulating intermolecular interactions and high-order triplet states of anthracene host materials for efficient TTA-UC with a Naphtho[2,3-d][1,3,2]diazaborole scaffold and its N-substituents

  • JiangXue Pei1
  • BoHua Zhang1
  • YangYi Li1
  • ChaoBo Hao1
  • Yi Chen1
  • QingYu Jia1
  • Hua Dong2
  • Bo Jiao2
  • ZhaoXin Wu2
  • DongDong Wang1
  1. 1Xi'an Key Laboratory of Sustainable Energy Materials Chemistry, School of Chemistry, Xi'an Jiaotong University Xi'an 710049 P. R. China
  2. 2Key Laboratory for Physical Electronics and Devices of the Ministry of Education & Shaanxi Key Lab of Information Photonic Technique, School of Electronic and Information Engineering, Xi'an Jiaotong University Xi'an 710049 P. R. China
Read full textPDFDOICite

Abstract

Three naphtho[2,3-d][1,3,2]diazaborole (NDB)-functionalized anthracene host materials (Ph-NDB, Np-NDB, and DBF-NDB) were designed and synthesized. The NDB skeleton and variable N-atom substituents synergistically modulate intermolecular interactions and higher-order triplet energy levels. Theoretical and photophysical investigations reveal that the S1 and T1 states of the three compounds are localized on the anthracene core, while the T2 state is dominated by the NDB skeleton. The T3 state exhibits distinct substituent-dependent characteristics: in Np-NDB, it is exclusively governed by naphthyl groups on N-atoms, whereas in Ph-NDB and DBF-NDB, it is co-regulated by the anthracene core and phenyl groups on N-atoms. As a result, Np-NDB exhibits stronger TTA-UC capabilities than the reference sample DPA and other compounds. The three compounds possess bipolar charge transport properties and excellent thermal stability, with melting temperatures above 300 °C. An Np-NDB-based blue OLED achieves a maximum EQE of 8.00%, surpassing the commercial anthracene-based host BH (7.55%). This work clarifies the unique modulation mechanism of NDB skeletons and N-substituents toward high-order triplet states and intermolecular interactions, providing a feasible molecular design strategy for developing high-efficiency TTA-UC host materials for blue OLEDs.

Related

  1. Intermolecular Interactions, Proton Transfer, and Adatom Rearrangement during Cysteine Dimer Adsorption on Au(111)
    Aishat Idris, Irina Paci
    ChemRxivPreprintCC BYGeneral chemistryChemRxiv
  2. Relative stability of chlorthalidone (CTD) Forms I and II: integrated experimental and theoretical insights into the superior thermodynamic stability of CTD-I driven by intra- and intermolecular interactions.
    Nathiya Singaravel, Jarede Da Silva Martins, Panneerselvam Murugesan +4
    Journal of molecular modelingPeer-reviewedCC BYFull textMaterials & polymersEurope PMCPMC
  3. Intermolecular Bonding Interactions Within Acenaphthene Peri-Diselenide Radical Cations: Combining Chalcogen Bonding and Pancake Bonding
    Hrudya Pariyacheri Padikkal, Olivier Jeannin, nicolas quemere +2
    CrystalsPeer-reviewedCC BY 4.0Full textPhysical chemistryHAL
  4. Facet Selective Adsorption and Mobility of Anthracene Based Nanocars on Gold Surfaces
    Kush Kumar, Miteshkumar Moirangthem, Santosh Kumar Meena
    ChemRxivPreprintCC BY-NC-NDFull textGeneral chemistryChemRxiv
  5. Anthracene–phenyl-vinyl–quinoline: a molecular rotor with a large Stokes shift and solvatofluorochromism for lipid-droplet imaging
    Jayachandran Jayaraman, Manbit Subhadarsi Panda, Rafique Sanukhan +3
    RSC AdvancesPeer-reviewedCC BY-NC 3.0Full textPhysical chemistryPMCEurope PMC

Cite

BibTeXRIS
BibTeX
@article{pei2026modulating,
  title = {{Modulating intermolecular interactions and high-order triplet states of anthracene host materials for efficient TTA-UC with a Naphtho[2,3-d][1,3,2]diazaborole scaffold and its N-substituents}},
  author = {JiangXue Pei and BoHua Zhang and YangYi Li and ChaoBo Hao and Yi Chen and QingYu Jia and Hua Dong and Bo Jiao and ZhaoXin Wu and DongDong Wang},
  journal = {Chemical Science},
  year = {2026},
  month = sep,
  doi = {10.1039/d6sc05636a},
  url = {https://doi.org/10.1039/d6sc05636a},
  note = {CC BY-NC 3.0},
}
RIS
TY  - JOUR
TI  - Modulating intermolecular interactions and high-order triplet states of anthracene host materials for efficient TTA-UC with a Naphtho[2,3-d][1,3,2]diazaborole scaffold and its N-substituents
AU  - JiangXue Pei
AU  - BoHua Zhang
AU  - YangYi Li
AU  - ChaoBo Hao
AU  - Yi Chen
AU  - QingYu Jia
AU  - Hua Dong
AU  - Bo Jiao
AU  - ZhaoXin Wu
AU  - DongDong Wang
PY  - 2026
DA  - 2026/09/02
JO  - Chemical Science
DO  - 10.1039/d6sc05636a
UR  - https://doi.org/10.1039/d6sc05636a
AB  - Three naphtho[2,3-d][1,3,2]diazaborole (NDB)-functionalized anthracene host materials (Ph-NDB, Np-NDB, and DBF-NDB) were designed and synthesized. The NDB skeleton and variable N-atom substituents synergistically modulate intermolecular interactions and higher-order triplet energy levels. Theoretical and photophysical investigations reveal that the S1 and T1 states of the three compounds are localized on the anthracene core, while the T2 state is dominated by the NDB skeleton. The T3 state exhibits distinct substituent-dependent characteristics: in Np-NDB, it is exclusively governed by naphthyl groups on N-atoms, whereas in Ph-NDB and DBF-NDB, it is co-regulated by the anthracene core and phenyl groups on N-atoms. As a result, Np-NDB exhibits stronger TTA-UC capabilities than the reference sample DPA and other compounds. The three compounds possess bipolar charge transport properties and excellent thermal stability, with melting temperatures above 300 °C. An Np-NDB-based blue OLED achieves a maximum EQE of 8.00%, surpassing the commercial anthracene-based host BH (7.55%). This work clarifies the unique modulation mechanism of NDB skeletons and N-substituents toward high-order triplet states and intermolecular interactions, providing a feasible molecular design strategy for developing high-efficiency TTA-UC host materials for blue OLEDs.
SN  - 2041-6520
SN  - 2041-6539
ER  -