Ring-whizzing in polyene-PtL(2) complexes revisited

Ring-whizzing was investigated by hybrid DFT methods in a number of polyene–Pt(diphosphinylethane) complexes. The polyenes included cyclopropenium(+), cyclobutadiene, cyclopentadienyl(+), hexafluorobenzene, cycloheptatrienyl(+), cyclooctatetraene, octafluorooctatetraene, 6-radialene, pentalene, phen...

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Autores principales: Oloba-Whenu, Oluwakemi A, Albright, Thomas A, Soubra-Ghaoui, Chirine
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Beilstein-Institut 2016
Materias:
Full Research Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4979650/
https://www.ncbi.nlm.nih.gov/pubmed/27559391
http://dx.doi.org/10.3762/bjoc.12.135
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author Oloba-Whenu, Oluwakemi A
Albright, Thomas A
Soubra-Ghaoui, Chirine
author_facet Oloba-Whenu, Oluwakemi A
Albright, Thomas A
Soubra-Ghaoui, Chirine
author_sort Oloba-Whenu, Oluwakemi A
collection PubMed
description Ring-whizzing was investigated by hybrid DFT methods in a number of polyene–Pt(diphosphinylethane) complexes. The polyenes included cyclopropenium(+), cyclobutadiene, cyclopentadienyl(+), hexafluorobenzene, cycloheptatrienyl(+), cyclooctatetraene, octafluorooctatetraene, 6-radialene, pentalene, phenalenium(+), naphthalene and octafluoronaphthalene. The HOMO of a d(10) ML(2) group (with b(2) 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.
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spelling pubmed-49796502016-08-24 Ring-whizzing in polyene-PtL(2) complexes revisited Oloba-Whenu, Oluwakemi A Albright, Thomas A Soubra-Ghaoui, Chirine Beilstein J Org Chem Full Research Paper Ring-whizzing was investigated by hybrid DFT methods in a number of polyene–Pt(diphosphinylethane) complexes. The polyenes included cyclopropenium(+), cyclobutadiene, cyclopentadienyl(+), hexafluorobenzene, cycloheptatrienyl(+), cyclooctatetraene, octafluorooctatetraene, 6-radialene, pentalene, phenalenium(+), naphthalene and octafluoronaphthalene. The HOMO of a d(10) ML(2) group (with b(2) 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. Beilstein-Institut 2016-07-07 /pmc/articles/PMC4979650/ /pubmed/27559391 http://dx.doi.org/10.3762/bjoc.12.135 Text en Copyright © 2016, Oloba-Whenu et al. https://creativecommons.org/licenses/by/2.0https://www.beilstein-journals.org/bjoc/termsThis is an Open Access article under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. The license is subject to the Beilstein Journal of Organic Chemistry terms and conditions: (https://www.beilstein-journals.org/bjoc/terms)
spellingShingle Full Research Paper
Oloba-Whenu, Oluwakemi A
Albright, Thomas A
Soubra-Ghaoui, Chirine
Ring-whizzing in polyene-PtL(2) complexes revisited
title Ring-whizzing in polyene-PtL(2) complexes revisited
title_full Ring-whizzing in polyene-PtL(2) complexes revisited
title_fullStr Ring-whizzing in polyene-PtL(2) complexes revisited
title_full_unstemmed Ring-whizzing in polyene-PtL(2) complexes revisited
title_short Ring-whizzing in polyene-PtL(2) complexes revisited
title_sort ring-whizzing in polyene-ptl(2) complexes revisited
topic Full Research Paper
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4979650/
https://www.ncbi.nlm.nih.gov/pubmed/27559391
http://dx.doi.org/10.3762/bjoc.12.135
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