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The 31P NMR data for [Th\u00ad(PH2)\u00ad(TrenTIPS)] (1, TrenTIPS = {N\u00ad(CH2CH2NSiPri3)3}3\u2013), [Th\u00ad(PH)\u00ad(TrenTIPS)]\u00ad[Na\u00ad(12C4)2] (2, 12C4 = 12-crown-4 ether), [{Th\u00ad(TrenTIPS)}2(\u03bc-PH)] (3), and [{Th\u00ad(TrenTIPS)}2(\u03bc-P)]\u00ad[Na\u00ad(12C4)2] (4) demonstrate a chemical shift anisotropy (CSA) ordering of (\u03bc-P)3\u2013 &amp;gt; (\ue5fbPH)2\u2013 &amp;gt; (\u03bc-PH)2\u2013 &amp;gt; (\u2212PH2)1\u2013 and for 4 the largest CSA for any bridging phosphido unit. The B3LYP functional with 50% Hartree\u2013Fock mixing produced spin\u2013orbit \u03b4iso values that closely match the experimental data, providing experimentally benchmarked quantification of the nature and extent of covalency in the Th\u2013P linkages in 1\u20134 via Natural Bond Orbital and Natural Localized Molecular Orbital analyses. Shielding analysis revealed that the 31P \u03b4iso values are essentially only due to the nature of the Th\u2013P bonds in 1\u20134, with largely invariant diamagnetic but variable paramagnetic and spin\u2013orbit shieldings that reflect the Th\u2013P bond multiplicities and s-orbital mediated transmission of spin\u2013orbit effects from Th to P. This study has permitted correlation of Th\u2013P \u03b4iso values to Mayer bond orders, revealing qualitative correlations generally, but which should be examined with respect to specific ancillary ligand families rather than generally to be quantitative, reflecting that 31P \u03b4iso values are a very sensitive reporter due to phosphorus being a soft donor that responds to the rest of the ligand field much more than stronger, harder donors like nitrogen.<\/jats:p>","DOI":"10.1021\/jacs.3c02775","type":"journal-article","created":{"date-parts":[[2023,9,28]],"date-time":"2023-09-28T11:09:52Z","timestamp":1695899392000},"page":"21766-21784","source":"Crossref","is-referenced-by-count":48,"title":["31P Nuclear\nMagnetic Resonance Spectroscopy\nas a Probe of Thorium\u2013Phosphorus Bond Covalency: Correlating\nPhosphorus Chemical Shift to Metal\u2013Phosphorus Bond Order"],"prefix":"10.1021","volume":"145","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4037-9281","authenticated-orcid":true,"given":"Jingzhen","family":"Du","sequence":"first","affiliation":[{"name":"The University of Manchester , , Oxford Road , , ,","place":["Manchester, U.K., M13 9PL"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Joseph","family":"Hurd","sequence":"additional","affiliation":[{"name":"The University of Manchester , , Oxford Road , , ,","place":["Manchester, U.K., M13 9PL"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3751-0325","authenticated-orcid":true,"given":"John A.","family":"Seed","sequence":"additional","affiliation":[{"name":"The University of Manchester , , Oxford Road , , ,","place":["Manchester, U.K., M13 9PL"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ga\u0301bor","family":"Bala\u0301zs","sequence":"additional","affiliation":[{"name":"University of Regensburg , , Universita\u0308tsstr. 31 , ,","place":["Regensburg, Germany, 93053"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Manfred","family":"Scheer","sequence":"additional","affiliation":[{"name":"University of Regensburg , , Universita\u0308tsstr. 31 , ,","place":["Regensburg, Germany, 93053"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8009-5334","authenticated-orcid":true,"given":"Ralph W.","family":"Adams","sequence":"additional","affiliation":[{"name":"The University of Manchester , , Oxford Road , , ,","place":["Manchester, U.K., M13 9PL"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1015-0980","authenticated-orcid":true,"given":"Daniel","family":"Lee","sequence":"additional","affiliation":[{"name":"The University of Manchester , , Oxford Road , , ,","place":["Manchester, U.K., M13 9PL"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9911-8778","authenticated-orcid":true,"given":"Stephen T.","family":"Liddle","sequence":"additional","affiliation":[{"name":"The University of Manchester , , Oxford Road , , ,","place":["Manchester, U.K., M13 9PL"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2023,9,28]]},"reference":[{"key":"2026081707191071100_cit1","doi-asserted-by":"publisher","first-page":"55","DOI":"10.1016\/S0925-8388(02)00305-5","article-title":"Covalency\nin f-Element Bonds","volume":"344","author":"Choppin","year":"2002","journal-title":"J. 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