Ring-whizzing in polyene-PtL2 complexes revisited

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dc.contributor.authorOloba-whenu, O.A
dc.contributor.authorAlbright, T.A
dc.contributor.authorSoubra-Ghaoui, C.
dc.date.accessioned2019-09-10T12:41:03Z
dc.date.available2019-09-10T12:41:03Z
dc.date.issued2016-07-07
dc.descriptionStaff publicationen_US
dc.description.abstractRing-whizzing was investigated by hybrid DFT methods in a number of polyene–Pt(diphosphinylethane) complexes. The polyenes included cyclopropenium+ , cyclobutadiene, cyclopentadienyl+, hexafluorobenzene, cycloheptatrienyl+ , cyclooctatetraene, octafluo- rooctatetraene, 6-radialene, pentalene, phenalenium+ , naphthalene and octafluoronaphthalene. The HOMO of a d10 ML2 group (with b2 symmetry) interacting with the LUMO of the polyene was used as a model to explain the occurrence of minima and maxima on the potential energy surface.en_US
dc.identifier.citationOloba-Whenu, O. A., Albright, T. A., & Soubra-Ghaoui, C. (2016). Ring-whizzing in polyene-PtL2 complexes revisited. Beilstein journal of organic chemistry, Vol.12(1), 1410-1420pp.en_US
dc.identifier.urihttps://ir.unilag.edu.ng/handle/123456789/5467
dc.language.isoenen_US
dc.publisherBeilstein journal of chemistryen_US
dc.relation.ispartofseriesBeilstein journal of organic chemistry;Vol.12(1)
dc.subjectResearch Subject Categories::NATURAL SCIENCES::Chemistry::Physical chemistryen_US
dc.subjectDensity functional theoryen_US
dc.subjectHapototropic rearrangementsen_US
dc.subjectRing whizzingen_US
dc.subjectHOMO-LUMO interactionsen_US
dc.titleRing-whizzing in polyene-PtL2 complexes revisiteden_US
dc.typeArticleen_US
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