<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Kottelat, Emmanuel</dc:creator>
  <dc:creator>Lucarini, Fiorella</dc:creator>
  <dc:creator>Crochet, Aurélien</dc:creator>
  <dc:creator>Ruggi, Albert</dc:creator>
  <dc:creator>Zobi, Fabio</dc:creator>
  <dc:date>2019</dc:date>
  <dc:description xmlns:ns0="xml" ns0:lang="en">A mathematical correlation of the MLCT absorption maxima of structurally related fac‐  [M(CO)3L2Br] complexes (M = Mn, Re; L2 = bidentate ligand) is obtained by the  comparison of a total of 50 species bearing bipyridine, pyridinylpyrazine, azopyridine  and pyridin‐2‐ylmethanimine L2 type ligands. The empirical relationship is first derived  by the initial comparison of the MLCT absorption maxima of 26 previously published  complexes and subsequently used to predict the same absorption value of 24 other  species. In order to check the validity of the prediction, several new complexes were  prepared. These were spectroscopically characterized and, where possible, their X‐  ray solid‐state structure elucidated. The initial mathematical correlation allowed to  predict MLCT absorption maxima of the unknown species with an average  discrepancy of 12 nm. The relationship was subsequently refined to an average error  of 6 nm with following derived formula CalcMnmLCT = (ObsReMLCT/0.88) – 15.1  (where CalcMnmLCT = predicted values of Mn complexes MLCT and ObsReMLCT =  experimentally observed MLCT transitions of Re complexes). The correlation and the  formula, the significance of which are discussed, may prove useful in the long run for  the rational design of Mn‐based photoCORMs starting from known data of widely  investigated fac‐[Re(CO)3L2Br] complexes.</dc:description>
  <dc:format>application/pdf</dc:format>
  <dc:identifier>https://folia.unifr.ch/global/documents/308054</dc:identifier>
  <dc:identifier>https://folia.unifr.ch/documents/308054/files/zob_cmg.pdf</dc:identifier>
  <dc:identifier>https://folia.unifr.ch/documents/308054/files/zob_cmg_sm.pdf</dc:identifier>
  <dc:language>eng</dc:language>
  <dc:relation>info:eu-repo/semantics/altIdentifier/doi/10.1002/ejic.201900568</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>License undefined</dc:rights>
  <dc:source>European Journal of Inorganic Chemistry. - 2019, vol. 2019, no. 33, p. 3758–3768</dc:source>
  <dc:subject>info:eu-repo/classification/udc/54</dc:subject>
  <dc:title xmlns:ns1="xml" ns1:lang="en">Correlation of MLCTs of Group 7 fac-[M(CO)3]+ complexes (M = Mn, Re) with bipyridine, pyridinylpyrazine, azopyridine, and pyridin-2-ylmethanimine type ligands for rational photoCORM design</dc:title>
  <dc:type>http://purl.org/coar/resource_type/c_6501</dc:type>
</oai_dc:dc>