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These materials were prepared, and their structures and luminescence properties were characterized. A straightforward approximation based on the simple crystallographic structural subunits of these materials was used and resulted in an excellent agreement between the calculated and experimental properties. The intramolecular energy transfer and back\u2010transfer rates were predicted, and the T<jats:sub>1<\/jats:sub>\u2009\u2192\u2009<jats:sup>5<\/jats:sup>D<jats:sub>1<\/jats:sub> channel was shown to be the dominant pathway (9.03\u2009\u00d7\u200910<jats:sup>4<\/jats:sup> s<jats:sup>\u20131<\/jats:sup> for <jats:bold>1<\/jats:bold>, 1.06\u2009\u00d7\u200910<jats:sup>4<\/jats:sup> s<jats:sup>\u20131<\/jats:sup> for <jats:bold>4<\/jats:bold> and 2.18\u2009\u00d7\u200910<jats:sup>5<\/jats:sup> s<jats:sup>\u20131<\/jats:sup> for <jats:bold>5<\/jats:bold>).<\/jats:p>","DOI":"10.1002\/ejic.201402492","type":"journal-article","created":{"date-parts":[[2014,9,4]],"date-time":"2014-09-04T19:36:33Z","timestamp":1409859393000},"page":"1254-1260","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Modelling the Luminescence of Phosphonate Lanthanide\u2013Organic Frameworks"],"prefix":"10.1002","volume":"2015","author":[{"given":"Mariela M.","family":"Nolasco","sequence":"first","affiliation":[]},{"given":"Ricardo F.","family":"Mendes","sequence":"additional","affiliation":[]},{"given":"Patr\u00edcia P.","family":"Lima","sequence":"additional","affiliation":[]},{"given":"Filipe A.","family":"Almeida Paz","sequence":"additional","affiliation":[]},{"given":"Lu\u00eds D.","family":"Carlos","sequence":"additional","affiliation":[]},{"given":"Jo\u00e3o","family":"Rocha","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2014,9,4]]},"reference":[{"key":"e_1_2_6_1_2","unstructured":"\u00a0"},{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr2002257"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1016\/S1369-7021(12)70046-9"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr200205j"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr200304e"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ica.2011.12.032"},{"key":"e_1_2_6_7_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.1220131"},{"key":"e_1_2_6_8_2","unstructured":"\u00a0"},{"key":"e_1_2_6_9_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.micromeso.2012.02.021"},{"key":"e_1_2_6_10_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.micromeso.2012.02.042"},{"key":"e_1_2_6_11_2","doi-asserted-by":"publisher","DOI":"10.1039\/C2CC16923A"},{"key":"e_1_2_6_12_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja2042113"},{"key":"e_1_2_6_13_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201003314"},{"key":"e_1_2_6_14_2","doi-asserted-by":"publisher","DOI":"10.1021\/cm902899t"},{"key":"e_1_2_6_15_2","unstructured":"\u00a0"},{"key":"e_1_2_6_16_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja101208s"},{"key":"e_1_2_6_17_2","doi-asserted-by":"publisher","DOI":"10.1007\/s10563-012-9135-2"},{"key":"e_1_2_6_18_2","doi-asserted-by":"publisher","DOI":"10.1038\/nmat834"},{"key":"e_1_2_6_19_2","unstructured":"\u00a0"},{"key":"e_1_2_6_20_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic9025014"},{"key":"e_1_2_6_21_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201008277"},{"key":"e_1_2_6_22_2","unstructured":"\u00a0"},{"key":"e_1_2_6_23_2","doi-asserted-by":"publisher","DOI":"10.1039\/C0CS00130A"},{"key":"e_1_2_6_24_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200902045"},{"key":"e_1_2_6_25_2","unstructured":"\u00a0"},{"key":"e_1_2_6_26_2","doi-asserted-by":"publisher","DOI":"10.1039\/b927465k"},{"key":"e_1_2_6_27_2","doi-asserted-by":"publisher","DOI":"10.1021\/cg900518s"},{"key":"e_1_2_6_28_2","unstructured":"\u00a0"},{"key":"e_1_2_6_29_2","doi-asserted-by":"publisher","DOI":"10.1023\/A:1008227001656"},{"key":"e_1_2_6_30_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0925-8388(96)02563-7"},{"key":"e_1_2_6_31_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2313(96)00126-3"},{"key":"e_1_2_6_32_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2313(97)00107-5"},{"key":"e_1_2_6_33_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic971602v"},{"key":"e_1_2_6_34_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(97)01283-9"},{"key":"e_1_2_6_35_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jnoncrysol.2008.04.023"},{"key":"e_1_2_6_36_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23542"},{"key":"e_1_2_6_37_2","unstructured":"M. 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