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SUMMARY:Catechol oxidase activity of Bis(pyridinonato)copper(II) complexes
DTSTART;VALUE=DATE-TIME:20141002T093000Z
DTEND;VALUE=DATE-TIME:20141002T094500Z
DTSTAMP;VALUE=DATE-TIME:20261006T161229Z
UID:indico-contribution-3954@events.saip.org.za
DESCRIPTION:Speakers: Pule Petrus Molokoane (University of the Free State)
 \nPseudo first order oxidation of 3\,5-di-tert-butylcatechol under aerobic
  conditions to 3\,5-di-tert-butylquinone. The process was catalyzed by squ
 are planar Cu(II)(naltol)2 complexes. The aim of this study was to imitate
  the activity and behaviour of the enzyme catechol oxidase by employing co
 pper nano molecular materials\, and to investigate electronic and steric e
 ffects on this catalytic oxidation process. A credible selection ensured t
 hat factors such as the effect of electron donating groups on ligands\, st
 eric bulk of the complexes\, etc. could be investigated. Structural data r
 evealed that all the 3-hydroxypyrid-4-one ligands which were synthesized w
 ere all in the keto-enol tautomeric form in the solid state. Furthermore i
 n all the cases where a clear packing order was observed\, weak hydrogen b
 onding is present. These interactions result in the formation of dimers\, 
 which stabilizes the structures. This data also indicated a C=O bond lengt
 h increase with increasing electron donation in the synthesized O\,O’-bi
 dentate ligands systems. The synthesized copper complexes were planar with
  slight deviations from planarity and the copper atoms lie on inversion ce
 nters. These complexes exhibit strong intramolecular hydrogen interactions
 . The solution study results suggest that the complex with the least elect
 ron donating group on the ligand was the most effective catalyst\; however
 \, the same complex was coincidentally the most sterically demanding compl
 ex in the study. As the catechol oxidase is a macro-molecule which is very
  sterically crowded\, the data suggests that steric effects play an import
 ant role in the catalytic process and this was successfully demonstrated a
 t a small-molecular level of detail via solution modelling experiments.\n\
 nhttps://events.saip.org.za/event/40/contributions/3954/
LOCATION:Matjiesfontein's Lord Milner Hotel Conference Room\, Matjiesfonte
 in Station
URL:https://events.saip.org.za/event/40/contributions/3954/
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