Electronic structure, IR and UV-Vis spectra of some suggested Ziegler-Natta catalysts
Other Title(s)
التركيب الإلكتروني و أطياف الأشعة التحت الحمراء و الفوق البنفسجة-المرئية لبعض محفزات زكلر-ناتا المقترحة
Joint Authors
al-Tamimi, Faiq Abd Allah Muhammad
Abbud, Hamid Ibrahim
Source
Issue
Vol. 10, Issue 1 (30 Jun. 2018), pp.87-94, 8 p.
Publisher
University of Kufa Faculty of Science Department of Physics
Publication Date
2018-06-30
Country of Publication
Iraq
No. of Pages
8
Main Subjects
Abstract EN
Three aluminum metal complexes were suggested as Ziegler-Natta catalysts and studied theoretically at the ground and excited states.
Becke’s three parameter exchange with Lee, Yang, and Parr correlation functional) density functional theory and SDD (Stuttgart Dresden triple zeta ECPs (Effective-Core Potential))basis sets calculations were employed to study the electronic structure and IR-spectra of the complexes.
Time dependent of DFT method is used to calculate the excitation energies and electronic transitions for each complex.
The results of density of state(DOS) and the distribution of HOMO and LUMO showed these complexes are good suggestion to play role for polymerization processes as catalysts.
Theresults showed that the excitation energies lie in the UV-Vis region.
American Psychological Association (APA)
al-Tamimi, Faiq Abd Allah Muhammad& Abbud, Hamid Ibrahim. 2018. Electronic structure, IR and UV-Vis spectra of some suggested Ziegler-Natta catalysts. Journal of Kufa-Physics،Vol. 10, no. 1, pp.87-94.
https://search.emarefa.net/detail/BIM-840048
Modern Language Association (MLA)
al-Tamimi, Faiq Abd Allah Muhammad& Abbud, Hamid Ibrahim. Electronic structure, IR and UV-Vis spectra of some suggested Ziegler-Natta catalysts. Journal of Kufa-Physics Vol. 10, no. 1 (2018), pp.87-94.
https://search.emarefa.net/detail/BIM-840048
American Medical Association (AMA)
al-Tamimi, Faiq Abd Allah Muhammad& Abbud, Hamid Ibrahim. Electronic structure, IR and UV-Vis spectra of some suggested Ziegler-Natta catalysts. Journal of Kufa-Physics. 2018. Vol. 10, no. 1, pp.87-94.
https://search.emarefa.net/detail/BIM-840048
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 93-94
Record ID
BIM-840048