Diamido Complexes of Titanium and Zirconium as Catalyst Precursors for Ethylene Polymerization
A series of 8 new complexes of titanium and zirconium with diamido ligands bearing an ethylene and propylene bridge between the two amido groups were synthesized and tested for ethylene polymerization. Titanium complexes bearing an ethylene bridge between the two amido groups showed higher activitie...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR
2019-10-01
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| Series: | Iranian Journal of Chemistry & Chemical Engineering |
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| Online Access: | http://www.ijcce.ac.ir/article_34241_620bfed2a92b342973fcb9078e0cfc89.pdf |
| _version_ | 1818891242421878784 |
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| author | Khalil Ahmad Helmut Alt |
| author_facet | Khalil Ahmad Helmut Alt |
| author_sort | Khalil Ahmad |
| collection | DOAJ |
| description | A series of 8 new complexes of titanium and zirconium with diamido ligands bearing an ethylene and propylene bridge between the two amido groups were synthesized and tested for ethylene polymerization. Titanium complexes bearing an ethylene bridge between the two amido groups showed higher activities than the derivatives with a propylene bridge. In the case of the zirconium complexes, the propylene bridged complexes were more active than the corresponding ethylene bridged. The introduction of bulky groups on the ligand structure resulted in an increase in the activity. DFT calculations were performed to determine the activation energy barriers for different reaction steps. The calculated activation energy for the insertion of ethylene into an M-CH3 bond is in the range of 12.2-16.8 kcal/mol and the activation energy for the chain termination via β-H transfer reaction is 12.5-14.4 kcal/mol. |
| first_indexed | 2024-12-19T17:37:42Z |
| format | Article |
| id | doaj.art-8062065fa2f64bde8463f34a237f81f3 |
| institution | Directory Open Access Journal |
| issn | 1021-9986 1021-9986 |
| language | English |
| last_indexed | 2024-12-19T17:37:42Z |
| publishDate | 2019-10-01 |
| publisher | Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR |
| record_format | Article |
| series | Iranian Journal of Chemistry & Chemical Engineering |
| spelling | doaj.art-8062065fa2f64bde8463f34a237f81f32022-12-21T20:12:18ZengIranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry & Chemical Engineering1021-99861021-99862019-10-01385799034241Diamido Complexes of Titanium and Zirconium as Catalyst Precursors for Ethylene PolymerizationKhalil Ahmad0Helmut Alt1Department of Chemistry, Mirpur University of Science and Technology (MUST), Mirpur 10250, (AJK) PAKISTANLaboratorium für Anorganische Chemie, Universität Bayreuth, Postfach 101251, D-95440 Bayreuth, GERMANYA series of 8 new complexes of titanium and zirconium with diamido ligands bearing an ethylene and propylene bridge between the two amido groups were synthesized and tested for ethylene polymerization. Titanium complexes bearing an ethylene bridge between the two amido groups showed higher activities than the derivatives with a propylene bridge. In the case of the zirconium complexes, the propylene bridged complexes were more active than the corresponding ethylene bridged. The introduction of bulky groups on the ligand structure resulted in an increase in the activity. DFT calculations were performed to determine the activation energy barriers for different reaction steps. The calculated activation energy for the insertion of ethylene into an M-CH3 bond is in the range of 12.2-16.8 kcal/mol and the activation energy for the chain termination via β-H transfer reaction is 12.5-14.4 kcal/mol.http://www.ijcce.ac.ir/article_34241_620bfed2a92b342973fcb9078e0cfc89.pdfdiamidotitaniumzirconiumethylene polymerizationexperimental and dft studies |
| spellingShingle | Khalil Ahmad Helmut Alt Diamido Complexes of Titanium and Zirconium as Catalyst Precursors for Ethylene Polymerization Iranian Journal of Chemistry & Chemical Engineering diamido titanium zirconium ethylene polymerization experimental and dft studies |
| title | Diamido Complexes of Titanium and Zirconium as Catalyst Precursors for Ethylene Polymerization |
| title_full | Diamido Complexes of Titanium and Zirconium as Catalyst Precursors for Ethylene Polymerization |
| title_fullStr | Diamido Complexes of Titanium and Zirconium as Catalyst Precursors for Ethylene Polymerization |
| title_full_unstemmed | Diamido Complexes of Titanium and Zirconium as Catalyst Precursors for Ethylene Polymerization |
| title_short | Diamido Complexes of Titanium and Zirconium as Catalyst Precursors for Ethylene Polymerization |
| title_sort | diamido complexes of titanium and zirconium as catalyst precursors for ethylene polymerization |
| topic | diamido titanium zirconium ethylene polymerization experimental and dft studies |
| url | http://www.ijcce.ac.ir/article_34241_620bfed2a92b342973fcb9078e0cfc89.pdf |
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