{"issue":"31","volume":25,"intvolume":"        25","_id":"20221","corr_author":"1","OA_type":"hybrid","publication_status":"published","publication":"Nano Letters","status":"public","author":[{"last_name":"Shi","id":"a3010425-87c8-11f0-8106-bec32bea74da","full_name":"Shi, Wanzhuo","first_name":"Wanzhuo"},{"last_name":"Wang","first_name":"Mengjiao","full_name":"Wang, Mengjiao"},{"orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","first_name":"Latha","last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"},{"first_name":"John D.","full_name":"Tovar, John D.","last_name":"Tovar"}],"date_created":"2025-08-24T22:01:30Z","abstract":[{"lang":"eng","text":"We describe the design, synthesis, and single-molecule junction conductance of π-electron molecules bearing both radial and linear π-conjugation pathways, whereby cycloparaphenylene (CPP) radial cores are π-extended linearly with aryl alkyne substituents as models for previously reported CPP-arylene ethynylene conjugated polymers. Although radially and linearly conjugated molecules have been studied previously in isolation as junction-bridging molecular electronic units, this is the first study to examine molecules where both topologies are operative. Our results reveal that the presence of radial CPP components within the junction-spanning pathway leads to a reduction in the conductance of the backbone compared to model linear phenyl substituents. Through tight-binding and DFT-based calculations, we attribute this conductance change to intramolecular van der Waals (vdW) interactions between the CPP ring and the junction-spanning arylene-ethynylene molecular backbone. These interactions induce changes in the dihedral angles of the backbone, leading to a reduced overlap of π orbitals within the molecular junction."}],"year":"2025","OA_place":"publisher","PlanS_conform":"1","pmid":1,"has_accepted_license":"1","month":"07","day":"24","publisher":"American Chemical Society","isi":1,"type":"journal_article","department":[{"_id":"LaVe"}],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","publication_identifier":{"eissn":["1530-6992"]},"doi":"10.1021/acs.nanolett.5c03693","acknowledgement":"We thank Prof. Volker Blum for useful discussions. We thank the Department of Energy Office of Basic Energy Science (DE-SC0019017) and the National Science Foundation (NSF-DMR 2241180) for supporting this research. This work was supported in part by the Institute of Science and Technology Austria.","title":"Single-molecule conductance through hybrid radially and linearly π-conjugated macromolecules reveals an unusual intramolecular π-interaction","article_type":"original","date_published":"2025-07-24T00:00:00Z","file":[{"date_created":"2025-09-02T06:50:11Z","file_name":"2025_NanoLetters_Shi.pdf","date_updated":"2025-09-02T06:50:11Z","file_size":3212706,"file_id":"20269","checksum":"bfc167d8904c0c47c3de2a8d0ec699d5","success":1,"creator":"dernst","content_type":"application/pdf","access_level":"open_access","relation":"main_file"}],"oa":1,"ddc":["540"],"date_updated":"2025-09-30T14:23:39Z","scopus_import":"1","citation":{"short":"W. Shi, M. Wang, L. Venkataraman, J.D. Tovar, Nano Letters 25 (2025) 12101–12106.","mla":"Shi, Wanzhuo, et al. “Single-Molecule Conductance through Hybrid Radially and Linearly π-Conjugated Macromolecules Reveals an Unusual Intramolecular π-Interaction.” <i>Nano Letters</i>, vol. 25, no. 31, American Chemical Society, 2025, pp. 12101–06, doi:<a href=\"https://doi.org/10.1021/acs.nanolett.5c03693\">10.1021/acs.nanolett.5c03693</a>.","ama":"Shi W, Wang M, Venkataraman L, Tovar JD. Single-molecule conductance through hybrid radially and linearly π-conjugated macromolecules reveals an unusual intramolecular π-interaction. <i>Nano Letters</i>. 2025;25(31):12101-12106. doi:<a href=\"https://doi.org/10.1021/acs.nanolett.5c03693\">10.1021/acs.nanolett.5c03693</a>","ista":"Shi W, Wang M, Venkataraman L, Tovar JD. 2025. Single-molecule conductance through hybrid radially and linearly π-conjugated macromolecules reveals an unusual intramolecular π-interaction. Nano Letters. 25(31), 12101–12106.","chicago":"Shi, Wanzhuo, Mengjiao Wang, Latha Venkataraman, and John D. Tovar. “Single-Molecule Conductance through Hybrid Radially and Linearly π-Conjugated Macromolecules Reveals an Unusual Intramolecular π-Interaction.” <i>Nano Letters</i>. American Chemical Society, 2025. <a href=\"https://doi.org/10.1021/acs.nanolett.5c03693\">https://doi.org/10.1021/acs.nanolett.5c03693</a>.","apa":"Shi, W., Wang, M., Venkataraman, L., &#38; Tovar, J. D. (2025). Single-molecule conductance through hybrid radially and linearly π-conjugated macromolecules reveals an unusual intramolecular π-interaction. <i>Nano Letters</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.nanolett.5c03693\">https://doi.org/10.1021/acs.nanolett.5c03693</a>","ieee":"W. Shi, M. Wang, L. Venkataraman, and J. D. Tovar, “Single-molecule conductance through hybrid radially and linearly π-conjugated macromolecules reveals an unusual intramolecular π-interaction,” <i>Nano Letters</i>, vol. 25, no. 31. American Chemical Society, pp. 12101–12106, 2025."},"external_id":{"pmid":["40707400"],"isi":["001537145800001"]},"file_date_updated":"2025-09-02T06:50:11Z","oa_version":"Published Version","page":"12101-12106","tmp":{"image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"quality_controlled":"1","language":[{"iso":"eng"}],"article_processing_charge":"Yes (via OA deal)"}