{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Yadav A"],"funding":["Division of Chemistry","Intramural NIST DOC","Division of Materials Research"],"pagination":["40613-40619"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10938260"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["12(36)"],"pubmed_abstract":["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 [Ag<sub>2</sub>(HATHCN)(CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub>]<sub><i>n</i></sub> 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<sup>•-</sup> radical anion character by acquiring electron density from the TfO<sup>-</sup> anions involved in the anion-π interaction and facilitated charge movement along the staircase-like [-Ag<sup>+</sup>-HATHCN-]<sub>∞</sub> chains having ample Ag<sub>4d</sub><sup>+</sup>-N<sub>2p</sub> 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<sup>-4</sup> 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."],"journal":["ACS applied materials & interfaces"],"pubmed_title":["Electrically Conductive 3D Metal-Organic Framework Featuring π-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-π Interaction and Efficient Charge-Transport Capabilities."],"pmcid":["PMC10938260"],"funding_grant_id":["1809092","9999-NIST","1660329"],"pubmed_authors":["Panda DK","Saha S","Zhou W","Zhang S","Yadav A"],"additional_accession":[]},"is_claimable":false,"name":"Electrically Conductive 3D Metal-Organic Framework Featuring π-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-π Interaction and Efficient Charge-Transport Capabilities.","description":"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 [Ag<sub>2</sub>(HATHCN)(CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub>]<sub><i>n</i></sub> 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<sup>•-</sup> radical anion character by acquiring electron density from the TfO<sup>-</sup> anions involved in the anion-π interaction and facilitated charge movement along the staircase-like [-Ag<sup>+</sup>-HATHCN-]<sub>∞</sub> chains having ample Ag<sub>4d</sub><sup>+</sup>-N<sub>2p</sub> 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<sup>-4</sup> 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.","dates":{"release":"2020-01-01T00:00:00Z","publication":"2020 Sep","modification":"2025-04-22T13:04:45.509Z","creation":"2025-04-06T00:29:22.931Z"},"accession":"S-EPMC10938260","cross_references":{"pubmed":["32786221"],"doi":["10.1021/acsami.0c12388"]}}