Transcript Slide 1
Focus topic – Metal Organic Frameworks Science is evolving quickly merging different disciplines • Metal-organic frameworks (MOFs) are crystalline compounds of metal ion complexes that produce pores – First synthesized in the 1990s • The pores can be used to store gases like hydrogen or carbon dioxide • MOFs also have been used as gas separation compounds and as sensors or catalysts • The German DFG has a priority research project on MOFs 7/17/2015 SciFinder is a trademark of the American Chemical Society 2 7/17/2015 TU IV IV U N U N TU FR EI H AN R G VE U R H EN N O SB U EN C AU G N IV BU R G U R G H N EL IG EN KI BE U LM FR EI M IV IV M EN PZ TE C U N LE I IN ST AK U N R G BE E D C H U EN C H IV U M U N U BO D R ES IV TU U N LM H R R U H R LS KA R U German universities with R&D papers on MOFs 40 35 30 25 20 15 10 5 0 SciFinder is a trademark of the American Chemical Society 3 Search example: Finding different MOF structures • MOFs are mainly built as metal ion complexes coordinated to benzenedicarboxylic acids (or tricarboxylic acids • CAS would have unique CAS Registry numbers for each metal complex depending on the structure provided in the publication • The ‘smart’ searching of metal containing compounds should be taken with care 7/17/2015 SciFinder is a trademark of the American Chemical Society 4 The basic structure for searching 7/17/2015 SciFinder is a trademark of the American Chemical Society 5 Is it safe to limit here to Coordination Compounds only? 7/17/2015 SciFinder is a trademark of the American Chemical Society 6 What would be relevant but not seen as coordination compounds? Some common salts may be missed These could give some MOF results if the author didn’t specify the final structure 7/17/2015 SciFinder is a trademark of the American Chemical Society 7 Precision Analyze gives closely related compounds Conventional structure answers are the most reliable for regular organic structure searches but the closely and loosely associated tautomers should be evaluated for metalcontaining compound queries 7/17/2015 SciFinder is a trademark of the American Chemical Society 8 Closely and loosely associated tautomers Closely 7/17/2015 Loosely SciFinder is a trademark of the American Chemical Society 9 Coordination compounds with no displayed structures Compounds can be retrieved by structure and molecular formula; they will not have predicted properties 7/17/2015 SciFinder is a trademark of the American Chemical Society 10 Search of all metal complexes that could be MOFs Only includes conventional structures 7/17/2015 SciFinder is a trademark of the American Chemical Society 11 Analyze by elements in these structures 7/17/2015 SciFinder is a trademark of the American Chemical Society 12 There are a few MOFs that have no structure 7/17/2015 SciFinder is a trademark of the American Chemical Society 13 Searched all references 7/17/2015 SciFinder is a trademark of the American Chemical Society 14 Refine by “mof or metal organic framework" 7/17/2015 SciFinder is a trademark of the American Chemical Society 15 Categorize results I 7/17/2015 SciFinder is a trademark of the American Chemical Society 16 Categorize results II 7/17/2015 SciFinder is a trademark of the American Chemical Society 17 Categorize results III 7/17/2015 SciFinder is a trademark of the American Chemical Society 18 Categorize results IV 7/17/2015 SciFinder is a trademark of the American Chemical Society 19 Conclusions • The limiter of Coordination Compounds includes all relevant complexes, but no salts • If the type of coordination is relevant one bond should be drawn to avoid other types of coordination • Coordination chemistry searching can be tricky in terms of structure smarts – Precision analyze should be evaluated • MOFs with benzenedicarboxylic acids provide 673 references on the conventional structures – The closely associated tautomers gave 42 references for MOFs; of which 25 were not in the 673 set 7/17/2015 SciFinder is a trademark of the American Chemical Society 20 Focus topic: Metal Organic Frameworks Questions? Comments?