{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["14(2)"],"submitter":["Liu WC"],"pubmed_abstract":["We describe a novel gold chloride complex supported by an ambiphilic phosphine/xanthylium ligand in which the AuCl moiety interacts with the π<sup>+</sup> surface of the xanthylium unit as indicated by structural studies. Energy decomposition analyses carried out on a model system indicates the prevalence of non-covalent interactions in which the electrostatic and dispersion terms cumulatively dominate. The presence of these AuCl-π<sup>+</sup> interactions correlates with the high catalytic activity of this complex in the cyclisation of 2-(phenylethynyl)phenylboronic acid, <i>N</i>-propargyl-<i>t</i>-butylamide, and 2-allyl-2-(2-propynyl)malonate. Comparison with the significantly less active acridinium and the 9-oxa-10-boraanthracene analogues reinforces this conclusion."],"journal":["Chemical science"],"pagination":["277-283"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9811580"],"repository":["biostudies-literature"],"pubmed_title":["Placing gold on a π<sup>+</sup>-surface: ligand design and impact on reactivity."],"pmcid":["PMC9811580"],"pubmed_authors":["Liu WC","Gabbai FP"],"additional_accession":[]},"is_claimable":false,"name":"Placing gold on a π<sup>+</sup>-surface: ligand design and impact on reactivity.","description":"We describe a novel gold chloride complex supported by an ambiphilic phosphine/xanthylium ligand in which the AuCl moiety interacts with the π<sup>+</sup> surface of the xanthylium unit as indicated by structural studies. Energy decomposition analyses carried out on a model system indicates the prevalence of non-covalent interactions in which the electrostatic and dispersion terms cumulatively dominate. The presence of these AuCl-π<sup>+</sup> interactions correlates with the high catalytic activity of this complex in the cyclisation of 2-(phenylethynyl)phenylboronic acid, <i>N</i>-propargyl-<i>t</i>-butylamide, and 2-allyl-2-(2-propynyl)malonate. Comparison with the significantly less active acridinium and the 9-oxa-10-boraanthracene analogues reinforces this conclusion.","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Jan","modification":"2025-04-04T14:27:21.174Z","creation":"2025-04-04T14:27:21.174Z"},"accession":"S-EPMC9811580","cross_references":{"pubmed":["36687358"],"doi":["10.1039/d2sc05574k"]}}