Skip to content
DraconiticResearch
Search Sources API
203,234 studies31 sourcesUpdated 1 min ago
Peer-reviewedCC BY 4.0ACS Central Science

Design of π-Conjugated Donor-Bridge-Acceptor Radicals for Molecular Qudit Applications

  • Qi Sun1
  • Jean-Luc Brédas1
  • Veaceslav Coropceanu1
  1. 1The University of Arizona , , , ,
Open at sourcePDFDOICite

Abstract

Organic radicals with spin-polarized excited-state manifolds are attractive molecular platforms for quantum information technologies. A central challenge lies in the understanding of how emissive doublet states can communicate with higher-spin quartet states while maintaining efficient luminescence. In this context, we propose here a series of donor-bridge-acceptor radicals based on anthracene or naphthalene donors coupled to the tris(trichlorophenyl)methyl (TTM•) radical acceptor. By combining excited-state electronic-structure analysis with interpolated coordinate pathways, we reveal how the locally excited (LE) states and charge-transfer (CT) states govern the accessibility of quartet manifolds and enable radical-enhanced reverse intersystem crossing (ERISC). Structural variations, including steric hindrance and donor–acceptor spatial separation, are shown to modulate the CT-state characteristics and reshape the LE-CT energy landscape. Our results identify the electronic-structure requirements and molecular design strategies for achieving both optically addressable emission and manipulation of quartet states, two key ingredients for molecular qudit architectures.

Related

  1. Exciton Energy Transfer in Conjugated Polymers via a Three-Level Donor-Acceptor Model
    Hyeonseok Yang
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  2. From molecular design to high performance: interpreting the combined effect of π-linkers and acceptor groups in benzotriazole-based non-fullerene acceptors.
    Komal Ateeq, Muhammad Kamran Shehzad, Yasir Altaf +6
    RSC advancesPeer-reviewedCC BYFull textGeneral chemistryEurope PMCPMC
  3. Advances in Research on Polyglycerol Fatty Acid Esters: Molecular Design, Nanoarchitectonics, and Advanced Applications
    Jiapeng Li, Mingmin Guo, Fu Han
    Journal of Oleo SciencePeer-reviewedCC BYFull textOrganic chemistryJ-STAGE
  4. Molecular design and therapeutic applications of polymeric nanoparticles for drug delivery: A comprehensive review
    Sumeer Ahmed, Mohd Hasan Mujahid, Mandeep Kour +6
    Results in ChemistryPeer-reviewedCC BY-NC-ND12 citedMaterials & polymersOpenAlex
  5. Microenvironment-Responsive Hydrogels for Burn Wound Healing: From Molecular Design to Therapeutic Applications
    Qingxu Yang, Zhengxian Li, Junjie Fang +7
    PolymersPeer-reviewedCC BY 4.0Materials & polymersCrossref

Cite

BibTeXRIS
BibTeX
@article{sun2026design,
  title = {{Design of π-Conjugated Donor-Bridge-Acceptor Radicals for Molecular Qudit Applications}},
  author = {Qi Sun and Jean-Luc Brédas and Veaceslav Coropceanu},
  journal = {ACS Central Science},
  year = {2026},
  month = oct,
  doi = {10.1021/acscentsci.6c01275},
  url = {https://pubs.acs.org/acscii/article/doi/10.1021/acscentsci.6c01275/5448427/Design-of-Conjugated-Donor-Bridge-Acceptor},
  note = {CC BY 4.0},
}
RIS
TY  - JOUR
TI  - Design of π-Conjugated Donor-Bridge-Acceptor Radicals for Molecular Qudit Applications
AU  - Qi Sun
AU  - Jean-Luc Brédas
AU  - Veaceslav Coropceanu
PY  - 2026
DA  - 2026/10/10
JO  - ACS Central Science
DO  - 10.1021/acscentsci.6c01275
UR  - https://pubs.acs.org/acscii/article/doi/10.1021/acscentsci.6c01275/5448427/Design-of-Conjugated-Donor-Bridge-Acceptor
AB  - Organic radicals with spin-polarized excited-state manifolds are attractive molecular platforms for quantum information technologies. A central challenge lies in the understanding of how emissive doublet states can communicate with higher-spin quartet states while maintaining efficient luminescence. In this context, we propose here a series of donor-bridge-acceptor radicals based on anthracene or naphthalene donors coupled to the tris(trichlorophenyl)methyl (TTM•) radical acceptor. By combining excited-state electronic-structure analysis with interpolated coordinate pathways, we reveal how the locally excited (LE) states and charge-transfer (CT) states govern the accessibility of quartet manifolds and enable radical-enhanced reverse intersystem crossing (ERISC). Structural variations, including steric hindrance and donor–acceptor spatial separation, are shown to modulate the CT-state characteristics and reshape the LE-CT energy landscape. Our results identify the electronic-structure requirements and molecular design strategies for achieving both optically addressable emission and manipulation of quartet states, two key ingredients for molecular qudit architectures.
SN  - 2374-7943
SN  - 2374-7951
ER  -