Skip to content
DraconiticResearch
Search Sources API
197,768 studies31 sourcesUpdated 49 min ago
Peer-reviewedCC BYJournal of the American Chemical Society

Modulating the Electronic Properties of Conductive Conjugated Coordination Polymers with Atomic-Level Precision.

  • Hyuk-Jun Noh1
  • Doran L Pennington2
  • Mark Del Campo3
  • Christopher H Hendon2
  • Katherine A Mirica1
  1. 1Department of Chemistry, Burke Laboratory, Dartmouth College, Hanover, New Hampshire03755, United States.
  2. 2Department of Chemistry and Biochemistry, University of Oregon, Eugene, Oregon97403, United States.
  3. 3Rigaku Americas , The Woodlands, Texas77381, United States.
Read full textPDFDOICite

Abstract

Conductive metal-organic frameworks and conjugated coordination polymers (CCPs) are promising platforms for low-power electronics and sustainable energy technologies, yet charge-transport design rules remain elusive. In diamine-based frameworks, Cu-coordinated motifs exhibit electrical conductivities several orders of magnitude lower than those of their Ni analogs, but the origin of this disparity has remained unclear, complicating rational selection of earth-abundant metal nodes for multifunctional materials. Here, we report the synthesis and atomic-resolution characterization of Cu-TABQ, a diamine-based CCP grown as single-crystals from tetraamino-p-benzoquinone and copper ions. Microcrystal electron diffraction reveals a distorted pseudosquare-planar Cu-coordination with asymmetric imine bonding, electron localization, and a structural model consistent with possible local protonation/hydrogen bonding. In contrast, Ni-TABQ adopts a planar, symmetric coordination environment that supports charge delocalization and near-metallic transport. Density functional theory suggests that protonation stabilizes the distorted Cu-TABQ structure and suppresses charge transport. Together, these results support an atomic-level explanation for metal-dependent transport in diamine-based frameworks and establish the metal-ligand coordination environment and protonation as tunable handles for designing conductive frameworks.

Related

  1. Linker Symmetry Lowering as a Strategy to Tune Electronic Properties in Two‐Dimensional Conductive MOFs
    Bowen Tan, Tianyang Chen, Mingyu Jeon +2
    Chemistry (Weinheim an Der Bergstrasse, Germany)Peer-reviewedCC BY 4.0Full text1 citedInorganic & organometallic chemistryPMC
  2. Trivalent-Conjugated-Cation Layered Lead Chloride (Tptz)Pb2Cl7: Crystal Structure, Electronic Properties, and Photodetection
    Xin Yang, Chengtao He, Zhaoyang Lin +8
    ACS OmegaPeer-reviewedCC BY-NC-ND 4.0Full textGeneral chemistryCrossref
  3. Elucidating Secondary Coordination Sphere Effects on the Electronic Structure and Redox Properties of Biomimetic Iron–Sulfur Cubanes
    Shelby T. Davis, Jan-Niklas Boyn
    ChemRxivPreprintCC BY-NC-NDFull textGeneral chemistryChemRxiv
  4. The Evolution of Electronic Structure in Conjugated Molecules Revealed by Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory and Density-Based Analyses: II. Polyacenes
    Arnab Chakraborty, Zheng Pei, Yihan Shao +1
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  5. A soluble conductive chromium coordination polymer with radical ligands and non-integer redox states
    Iram F. Mansoor, Arya Patel, Joe K. Bush +8
    ChemRxivPreprintCC BY-NCFull textInorganic & organometallic chemistryChemRxiv

Cite

BibTeXRIS
BibTeX
@article{noh2026modulating,
  title = {{Modulating the Electronic Properties of Conductive Conjugated Coordination Polymers with Atomic-Level Precision.}},
  author = {Hyuk-Jun Noh and Doran L Pennington and Mark Del Campo and Christopher H Hendon and Katherine A Mirica},
  journal = {Journal of the American Chemical Society},
  year = {2026},
  month = sep,
  doi = {10.1021/jacs.6c06561},
  url = {https://europepmc.org/article/MED/42937847},
  note = {CC BY},
}
RIS
TY  - JOUR
TI  - Modulating the Electronic Properties of Conductive Conjugated Coordination Polymers with Atomic-Level Precision.
AU  - Hyuk-Jun Noh
AU  - Doran L Pennington
AU  - Mark Del Campo
AU  - Christopher H Hendon
AU  - Katherine A Mirica
PY  - 2026
DA  - 2026/09/01
JO  - Journal of the American Chemical Society
DO  - 10.1021/jacs.6c06561
UR  - https://europepmc.org/article/MED/42937847
AB  - Conductive metal-organic frameworks and conjugated coordination polymers (CCPs) are promising platforms for low-power electronics and sustainable energy technologies, yet charge-transport design rules remain elusive. In diamine-based frameworks, Cu-coordinated motifs exhibit electrical conductivities several orders of magnitude lower than those of their Ni analogs, but the origin of this disparity has remained unclear, complicating rational selection of earth-abundant metal nodes for multifunctional materials. Here, we report the synthesis and atomic-resolution characterization of Cu-TABQ, a diamine-based CCP grown as single-crystals from tetraamino-p-benzoquinone and copper ions. Microcrystal electron diffraction reveals a distorted pseudosquare-planar Cu-coordination with asymmetric imine bonding, electron localization, and a structural model consistent with possible local protonation/hydrogen bonding. In contrast, Ni-TABQ adopts a planar, symmetric coordination environment that supports charge delocalization and near-metallic transport. Density functional theory suggests that protonation stabilizes the distorted Cu-TABQ structure and suppresses charge transport. Together, these results support an atomic-level explanation for metal-dependent transport in diamine-based frameworks and establish the metal-ligand coordination environment and protonation as tunable handles for designing conductive frameworks.
SN  - 0002-7863
SN  - 1520-5126
ER  -