biostudies-literatureYadav ADivision of ChemistryIntramural NIST DOCDivision of Materials Research40613-40619https://www.ebi.ac.uk/biostudies/studies/S-EPMC10938260biostudies-literatureUnknown12(36)Semiconducting metal-organic frameworks (MOFs) show great potential to foster myriad advanced electronics and energy technologies, but they must possess adequate charge-carrier concentration and efficient charge-transport pathways in order to display useful electrical conductivity. A new intrinsically conducting 3D framework [Ag₂(HATHCN)(CF₃SO₃)₂]_<i>n</i> was constructed by employing a highly π-acidic 1,4,5,8,9,12-hexaazatriphenylene-2,3,6,7,10,11-hexacarbonitrile (HATHCN) ligand, which assumed a paramagnetic HATHCN^•- radical anion character by acquiring electron density from the TfO^- anions involved in the anion-π interaction and facilitated charge movement along the staircase-like [-Ag⁺-HATHCN-]_∞ chains having ample Ag_4d⁺-N_2p orbital overlap in the valence band region. As a result, the MOF displayed a narrow band gap (1.35 eV) and promising electrical conductivity (7.3 × 10^-4 S/cm, 293 K) that ranked very high among those recorded for 3D MOFs. This work presents a new strategy to construct intrinsically conductive 3D frameworks by exploiting the dual metal coordination and anion-π interaction capabilities of a highly π-acidic HATHCN ligand.ACS applied materials & interfacesElectrically Conductive 3D Metal-Organic Framework Featuring π-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-π Interaction and Efficient Charge-Transport Capabilities.PMC1093826018090929999-NIST1660329Panda DKSaha SZhou WZhang SYadav AfalseElectrically Conductive 3D Metal-Organic Framework Featuring π-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-π Interaction and Efficient Charge-Transport Capabilities.Semiconducting metal-organic frameworks (MOFs) show great potential to foster myriad advanced electronics and energy technologies, but they must possess adequate charge-carrier concentration and efficient charge-transport pathways in order to display useful electrical conductivity. A new intrinsically conducting 3D framework [Ag₂(HATHCN)(CF₃SO₃)₂]_<i>n</i> was constructed by employing a highly π-acidic 1,4,5,8,9,12-hexaazatriphenylene-2,3,6,7,10,11-hexacarbonitrile (HATHCN) ligand, which assumed a paramagnetic HATHCN^•- radical anion character by acquiring electron density from the TfO^- anions involved in the anion-π interaction and facilitated charge movement along the staircase-like [-Ag⁺-HATHCN-]_∞ chains having ample Ag_4d⁺-N_2p orbital overlap in the valence band region. As a result, the MOF displayed a narrow band gap (1.35 eV) and promising electrical conductivity (7.3 × 10^-4 S/cm, 293 K) that ranked very high among those recorded for 3D MOFs. This work presents a new strategy to construct intrinsically conductive 3D frameworks by exploiting the dual metal coordination and anion-π interaction capabilities of a highly π-acidic HATHCN ligand.2020-01-01T00:00:00Z2020 Sep2025-04-22T13:04:45.509Z2025-04-06T00:29:22.931ZS-EPMC109382603278622110.1021/acsami.0c12388