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Variable\u2010temperature <jats:sup>1<\/jats:sup>H NMR spectroscopy, in combination with density functional theory (DFT) calculations, confirms the presence of a rare Tl\u2212H orbital interaction. According to DFT, the <jats:sup>1<\/jats:sup>H chemical shift of the Tl\u2010adjacent hydride ligands of <jats:bold>[1]<\/jats:bold><jats:sup>+<\/jats:sup> includes 7.7\u2005ppm of deshielding due to spin\u2010orbit effects from the heavy Tl atom. This study provides valuable new insights into a rare class of metal hydrides, given that <jats:bold>[1][OTf]<\/jats:bold> is only the third isolable species reported to contain a Tl\u2212H interaction.<\/jats:p>","DOI":"10.1002\/chem.202400390","type":"journal-article","created":{"date-parts":[[2024,2,21]],"date-time":"2024-02-21T12:30:41Z","timestamp":1708518641000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Exploring Spin\u2010Orbit Effects in a [Cu<sub>6<\/sub>Tl]<sup>+<\/sup> Nanocluster Featuring an Uncommon Tl\u2212H Interaction"],"prefix":"10.1002","volume":"30","author":[{"given":"Phoebe R.","family":"Hertler","sequence":"first","affiliation":[{"name":"Department of Chemistry and Biochemistry University of California, Santa Barbara  Santa Barbara CA 93106"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaojuan","family":"Yu","sequence":"additional","affiliation":[{"name":"Department of Chemistry University at Buffalo State University of New York  Buffalo NY 14260"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jordan D.","family":"Brower","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry University of California, Santa Barbara  Santa Barbara CA 93106"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thuy\u2010Ai D.","family":"Nguyen","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry University of California, Santa Barbara  Santa Barbara CA 93106"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Guang","family":"Wu","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry University of California, Santa Barbara  Santa Barbara CA 93106"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jochen","family":"Autschbach","sequence":"additional","affiliation":[{"name":"Department of Chemistry University at Buffalo State University of New York  Buffalo NY 14260"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4370-1424","authenticated-orcid":false,"given":"Trevor W.","family":"Hayton","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry University of California, Santa Barbara  Santa Barbara CA 93106"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,3,13]]},"reference":[{"key":"e_1_2_8_1_1","doi-asserted-by":"publisher","DOI":"10.1021\/cr960151d"},{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.1c00278"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp202327z"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.6b01575"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-012-1328-2"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00144"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.9b00785"},{"key":"e_1_2_8_8_1","first-page":"1","volume-title":"Annual Reports on NMR Spectroscopy, Vol. 67","author":"Autschbach J.","year":"2009"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c06535"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.199703741"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201300876"},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.1021\/ic960211y"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.7b01856"},{"key":"e_1_2_8_14_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja072682x"},{"key":"e_1_2_8_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.5b02689"},{"key":"e_1_2_8_16_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201204634"},{"key":"e_1_2_8_17_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201209611"},{"key":"e_1_2_8_18_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b07767"},{"key":"e_1_2_8_19_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.organomet.7b00202"},{"key":"e_1_2_8_20_1","doi-asserted-by":"publisher","DOI":"10.1039\/C9SC01960J"},{"key":"e_1_2_8_21_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.8b03175"},{"key":"e_1_2_8_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.0c01263"},{"key":"e_1_2_8_23_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-21766-4"},{"key":"e_1_2_8_24_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c03236"},{"key":"e_1_2_8_25_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-25863-2"},{"key":"e_1_2_8_26_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.2c02304"},{"key":"e_1_2_8_27_1","doi-asserted-by":"publisher","DOI":"10.1039\/D1SC04666G"},{"key":"e_1_2_8_28_1","author":"Ordo\u00f1ez O.","year":"2023","journal-title":"Inorg. 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