{"data":{"id":"10.6084/m9.figshare.c.3144673.v2","type":"dois","attributes":{"doi":"10.6084/m9.figshare.c.3144673.v2","prefix":"10.6084","suffix":"m9.figshare.c.3144673.v2","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Yuzhen Zhang","affiliation":[],"nameIdentifiers":[]},{"name":"Cox, Jordan M.","nameType":"Personal","givenName":"Jordan M.","familyName":"Cox","affiliation":[],"nameIdentifiers":[]},{"name":"Friedman, Alan E.","nameType":"Personal","givenName":"Alan E.","familyName":"Friedman","affiliation":[],"nameIdentifiers":[]},{"name":"Benedict, Jason B.","nameType":"Personal","givenName":"Jason B.","familyName":"Benedict","affiliation":[],"nameIdentifiers":[]},{"name":"Cook, Timothy R.","nameType":"Personal","givenName":"Timothy R.","familyName":"Cook","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"Phosphorescent organoplatinum(II) D\u003csub\u003e2\u003c/sub\u003eA\u003csub\u003e2\u003c/sub\u003e metallacycles: synthesis, self-assembly, and photophysical properties"}],"publisher":"Figshare","container":{},"publicationYear":2016,"subjects":[{"subject":"Biophysics"},{"subject":"Biochemistry"},{"subject":"29999 Physical Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Physical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Physical sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Cell Biology"},{"subject":"39999 Chemical Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Chemical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Chemical sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Computational Biology"}],"contributors":[],"dates":[{"date":"2016-05-02","dateType":"Created"},{"date":"2016-05-02","dateType":"Updated"},{"date":"2016","dateType":"Issued"}],"language":null,"types":{"ris":"GEN","bibtex":"misc","citeproc":"article","schemaOrg":"Collection","resourceType":"Collection","resourceTypeGeneral":"Collection"},"relatedIdentifiers":[],"relatedItems":[],"sizes":[],"formats":[],"version":null,"rightsList":[{"rights":"CC-BY","rightsUri":"http://creativecommons.org/licenses/by/3.0/us"}],"descriptions":[{"description":"A pair of organoplatinum(II) metallacycles, \u003cb\u003eM1\u003c/b\u003e and \u003cb\u003eM2\u003c/b\u003e, was self-assembled by combining one of two donor molecules, \u003ci\u003ecis\u003c/i\u003e-[Pt(dhim)\u003csub\u003e2\u003c/sub\u003e(C≡CC\u003csub\u003e5\u003c/sub\u003eH\u003csub\u003e4\u003c/sub\u003eN)\u003csub\u003e2\u003c/sub\u003e] (\u003cb\u003eD1\u003c/b\u003e; dhim = 1,3-dihexyl-2-H-imidazole-2-yelidene) and Pt(tbbpy)(C≡CC\u003csub\u003e5\u003c/sub\u003eH\u003csub\u003e4\u003c/sub\u003eN)\u003csub\u003e2\u003c/sub\u003e (\u003cb\u003eD2\u003c/b\u003e; tbbpy = 4,4′-di-tert-butyl-2,2′-bipyridine), with an acceptor precursor, Pt(tbbpy)(OTf)\u003csub\u003e2\u003c/sub\u003e (\u003cb\u003eA1\u003c/b\u003e; OTf = CF\u003csub\u003e3\u003c/sub\u003eSO\u003csub\u003e3\u003c/sub\u003e\u003csup\u003e−\u003c/sup\u003e), respectively. Both donor molecules exhibit an idealized 90° angle between the coordination vectors of their ethynylpyridine moieties. When mixed with \u003cb\u003eA1\u003c/b\u003e, coordination-driven self-assembly occurs at 50 °C (4 days in acetonitrile for \u003cb\u003eM1\u003c/b\u003e and 18 h in CH\u003csub\u003e2\u003c/sub\u003eCl\u003csub\u003e2\u003c/sub\u003e for \u003cb\u003eM2\u003c/b\u003e). Both metallacycles were characterized by \u003csup\u003e1\u003c/sup\u003eH NMR, FT-IR, and FT-ICR-MS techniques that support D\u003csub\u003e2\u003c/sub\u003eA\u003csub\u003e2\u003c/sub\u003e self-assembly of molecular squares. The structure of building block \u003cb\u003eD1\u003c/b\u003e was determined by X-ray diffraction, confirming the expected square coordination geometry and 90° orientation of the pyridyl coordination vectors. Photophysical studies of \u003cb\u003eM1\u003c/b\u003e and \u003cb\u003eM2\u003c/b\u003e reveal that the metallacycles display triplet emission bands at 466 and 469 nm, respectively, that originate from transitions localized on building blocks \u003cb\u003eD1\u003c/b\u003e and \u003cb\u003eD2\u003c/b\u003e. This phosphorescent behavior is assigned to \u003csup\u003e3\u003c/sup\u003eILCT and \u003csup\u003e3\u003c/sup\u003eLLCT (\u003ci\u003eπ\u003c/i\u003e\u003csub\u003eC≡C\u003c/sub\u003e* → \u003ci\u003eπ\u003c/i\u003e\u003csub\u003eC≡C\u003c/sub\u003e; ILCT = intraligand charge transfer, LLCT = ligand-to-ligand charge transfer) transitions based on previous studies of phenyl analogs to \u003cb\u003eD1\u003c/b\u003e and \u003cb\u003eD2\u003c/b\u003e that indicate that the ethynyl moieties dominate in their contributions to the molecular orbitals involved in absorption and emission.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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