Výsledky vyhledávání - "Frans T. I. Marx"

Karakterisering van Grubbs-tipe-prekatalisatore met behulp van kernmagnetieseresonansiespektrometrie

Autor: Frans T. I. Marx, Daniel P. Otto, Johannes H. L. Jordaan, Christo de Lange, Hermanus C.M. Vosloo

Publikováno v: Suid-Afrikaanse Tydskrif vir Natuurwetenskap en Tegnologie. :1-13

Sedert die ontdekking van die ruteniumbevattende prekatalisatore, Grubbs 1 (1) en Grubbs 2 (2), is ’n toename in die ontwikkeling van soortgelyke prekatalisatore getoon. Daar is egter nie met die karakterisering van die prekatalisatore met behulp v

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f6346befedf720c2f2136724f820aca1
https://doi.org/10.36303/satnt.2019.38.1.686

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A comparison of low and high activity precatalysts: Do the calculated energy barriers during the self‐metathesis reaction of 1‐Octene correlate with the precatalyst metathesis activity?

Autor: Hermanus C.M. Vosloo, G. Lachmann, Frans T. I. Marx, Johan H. L. Jordaan

Publikováno v: Journal of Computational Chemistry. 35:1464-1471

The self-metathesis reaction of 1-octene with several wellknown Grubbs-type precatalysts and the new Z-selective Grubbs precatalyst were studied with molecular modeling. The obtained Gibbs-free energy values for all the steps during the productive me

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d0d4e2fa03f7a639c90fb9c2893fc58d
https://doi.org/10.1002/jcc.23642

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A Molecular modeling study of the changes of some steric properties of the precatalysts during the olefin metathesis reaction

Autor: Hermanus C.M. Vosloo, Frans T. I. Marx, G. Lachmann, Johan H. L. Jordaan

Publikováno v: Journal of Computational Chemistry. 35:1457-1463

The productive self-metathesis of 1-octene with a series of new phosphine ligated Grubbs-type precatalysts was studied. The resulting structures were used to compare some steric properties of the new precatalysts with those of well-known precatalysts

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ab16985664ac5877d7b21417726bd7d
https://doi.org/10.1002/jcc.23641

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DFT investigation of the 1-octene metathesis reaction mechanism with the Phobcat precatalyst

Autor: Frans T. I. Marx, Johan H. L. Jordaan, Hermanus C.M. Vosloo

Publikováno v: Journal of molecular modeling. 15(11)

The productive self-metathesis reaction of 1-octene in the presence of the Phobcat precatalyst [RuCl(2)(Phoban-Cy)(2)(=CHPh)] using density functional theory was investigated and compared to the Grubbs 1 precatalyst [RuCl(2)(PCy(3))(2)(=CHPh)]. At th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e7cd936e70066d3b6f4d327d2bff8afb
https://pubmed.ncbi.nlm.nih.gov/19484276

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