{"intvolume":"        20","year":"2020","issue":"9","pmid":1,"publisher":"American Chemical Society","abstract":[{"lang":"eng","text":"Ferrocenes are ubiquitous organometallic building blocks that comprise a Fe atom sandwiched between two cyclopentadienyl (Cp) rings that rotate freely at room temperature. Of widespread interest in fundamental studies and real-world applications, they have also attracted some interest as functional elements of molecular-scale devices. Here we investigate the impact of the configurational degrees of freedom of a ferrocene derivative on its single-molecule junction conductance. Measurements indicate that the conductance of the ferrocene derivative, which is suppressed by 2 orders of magnitude as compared to a fully conjugated analogue, can be modulated by altering the junction configuration. Ab initio transport calculations show that the low conductance is a consequence of destructive quantum interference effects of the Fano type that arise from the hybridization of localized metal-based d-orbitals and the delocalized ligand-based π-system. By rotation of the Cp rings, the hybridization, and thus the quantum interference, can be mechanically controlled, resulting in a conductance modulation that is seen experimentally."}],"type":"journal_article","quality_controlled":"1","article_type":"letter_note","page":"6381-6386","date_created":"2024-09-09T07:18:19Z","extern":"1","oa_version":"Preprint","publication_status":"published","publication_identifier":{"eissn":["1530-6992"],"issn":["1530-6984"]},"main_file_link":[{"open_access":"1","url":"https://doi.org/10.26434/chemrxiv.12252059.v1"}],"oa":1,"author":[{"last_name":"Camarasa-Gómez","full_name":"Camarasa-Gómez, María","first_name":"María"},{"full_name":"Hernangómez-Pérez, Daniel","last_name":"Hernangómez-Pérez","first_name":"Daniel"},{"first_name":"Michael S.","last_name":"Inkpen","full_name":"Inkpen, Michael S."},{"first_name":"Giacomo","full_name":"Lovat, Giacomo","last_name":"Lovat"},{"first_name":"E-Dean","last_name":"Fung","full_name":"Fung, E-Dean"},{"full_name":"Roy, Xavier","last_name":"Roy","first_name":"Xavier"},{"first_name":"Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","last_name":"Venkataraman"},{"first_name":"Ferdinand","full_name":"Evers, Ferdinand","last_name":"Evers"}],"scopus_import":"1","volume":20,"publication":"Nano Letters","external_id":{"pmid":["32787164"]},"date_published":"2020-08-03T00:00:00Z","OA_type":"green","article_processing_charge":"No","doi":"10.1021/acs.nanolett.0c01956","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","title":"Mechanically tunable quantum interference in ferrocene-based single-molecule junctions","_id":"17908","citation":{"chicago":"Camarasa-Gómez, María, Daniel Hernangómez-Pérez, Michael S. Inkpen, Giacomo Lovat, E-Dean Fung, Xavier Roy, Latha Venkataraman, and Ferdinand Evers. “Mechanically Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions.” <i>Nano Letters</i>. American Chemical Society, 2020. <a href=\"https://doi.org/10.1021/acs.nanolett.0c01956\">https://doi.org/10.1021/acs.nanolett.0c01956</a>.","apa":"Camarasa-Gómez, M., Hernangómez-Pérez, D., Inkpen, M. S., Lovat, G., Fung, E.-D., Roy, X., … Evers, F. (2020). Mechanically tunable quantum interference in ferrocene-based single-molecule junctions. <i>Nano Letters</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.nanolett.0c01956\">https://doi.org/10.1021/acs.nanolett.0c01956</a>","short":"M. Camarasa-Gómez, D. Hernangómez-Pérez, M.S. Inkpen, G. Lovat, E.-D. Fung, X. Roy, L. Venkataraman, F. Evers, Nano Letters 20 (2020) 6381–6386.","mla":"Camarasa-Gómez, María, et al. “Mechanically Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions.” <i>Nano Letters</i>, vol. 20, no. 9, American Chemical Society, 2020, pp. 6381–86, doi:<a href=\"https://doi.org/10.1021/acs.nanolett.0c01956\">10.1021/acs.nanolett.0c01956</a>.","ieee":"M. Camarasa-Gómez <i>et al.</i>, “Mechanically tunable quantum interference in ferrocene-based single-molecule junctions,” <i>Nano Letters</i>, vol. 20, no. 9. American Chemical Society, pp. 6381–6386, 2020.","ama":"Camarasa-Gómez M, Hernangómez-Pérez D, Inkpen MS, et al. Mechanically tunable quantum interference in ferrocene-based single-molecule junctions. <i>Nano Letters</i>. 2020;20(9):6381-6386. doi:<a href=\"https://doi.org/10.1021/acs.nanolett.0c01956\">10.1021/acs.nanolett.0c01956</a>","ista":"Camarasa-Gómez M, Hernangómez-Pérez D, Inkpen MS, Lovat G, Fung E-D, Roy X, Venkataraman L, Evers F. 2020. Mechanically tunable quantum interference in ferrocene-based single-molecule junctions. Nano Letters. 20(9), 6381–6386."},"month":"08","status":"public","date_updated":"2024-12-10T10:49:18Z","language":[{"iso":"eng"}],"OA_place":"repository","day":"03"}