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The respective tris-monophosphites were thereof prepared and fully characterised. The coordination ability of the new bulky phosphites with Rh(CO)2(acac), was attested by 31P NMR, which presented a doublet in the range of \u03b4 = 120 ppm, with a 1J(103Rh-31P) coupling constant of 290 Hz. The new tris-binaphthyl phosphite ligands were further characterised by DFT computational methods, which allowed us to calculate an electronic (CEP) parameter of 2083.2 cm\u22121 and an extremely large cone angle of 345\u00b0, decreasing to 265\u00b0 upon coordination with a metal atom. Furthermore, the monophosphites were applied as ligands in rhodium-catalysed hydroformylation of styrene, leading to complete conversions in 4 h, 100% chemoselectivity for aldehydes and up to 98% iso-regioselectivity. The Rh(I)\/phosphite catalytic system was also highly active and selective in the hydroformylation of disubstituted olefins, including (E)-prop-1-en-1-ylbenzene and prop-1-en-2-ylbenzene.<\/jats:p>","DOI":"10.3390\/molecules27061989","type":"journal-article","created":{"date-parts":[[2022,3,20]],"date-time":"2022-03-20T21:34:27Z","timestamp":1647812067000},"page":"1989","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Stereoisomeric Tris-BINOL-Menthol Bulky Monophosphites: Synthesis, Characterisation and Application in Rhodium-Catalysed Hydroformylation"],"prefix":"10.3390","volume":"27","author":[{"given":"Alexandre P.","family":"Felgueiras","sequence":"first","affiliation":[{"name":"Coimbra Chemistry Centre, Department of Chemistry, University of Coimbra, Rua Larga, 3004-535 Coimbra, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1085-2720","authenticated-orcid":false,"given":"F\u00e1bio M. 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B.","family":"Carrilho","sequence":"additional","affiliation":[{"name":"Coimbra Chemistry Centre, Department of Chemistry, University of Coimbra, Rua Larga, 3004-535 Coimbra, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3578-0134","authenticated-orcid":false,"given":"Pedro F.","family":"Cruz","sequence":"additional","affiliation":[{"name":"Coimbra Chemistry Centre, Department of Chemistry, University of Coimbra, Rua Larga, 3004-535 Coimbra, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5164-1209","authenticated-orcid":false,"given":"Vitor H.","family":"Rodrigues","sequence":"additional","affiliation":[{"name":"Centre for Physics of the University of Coimbra, Department of Physics, University of Coimbra, Rua Larga, 3004-516 Coimbra, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4642-1703","authenticated-orcid":false,"given":"Tam\u00e1s","family":"K\u00e9gl","sequence":"additional","affiliation":[{"name":"Department of Inorganic Chemistry and ELKH-PTE Research Group for Selective Chemical Syntheses, University of P\u00e9cs, Ifj\u00fas\u00e1g \u00fatja 6, H-7624 P\u00e9cs, Hungary"}]},{"given":"L\u00e1szl\u00f3","family":"Koll\u00e1r","sequence":"additional","affiliation":[{"name":"Department of Inorganic Chemistry and ELKH-PTE Research Group for Selective Chemical Syntheses, University of P\u00e9cs, Ifj\u00fas\u00e1g \u00fatja 6, H-7624 P\u00e9cs, Hungary"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4958-7677","authenticated-orcid":false,"given":"Mariette M.","family":"Pereira","sequence":"additional","affiliation":[{"name":"Coimbra Chemistry Centre, Department of Chemistry, University of Coimbra, Rua Larga, 3004-535 Coimbra, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2022,3,19]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"B\u00f6rner, A., and Franke, R. 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