Theoretical study for the electronic distribution of MNO2CL2
Author
Source
Journal of Babylon University : Journal of Applied and Pure Sciences
Issue
Vol. 12, Issue 3 (30 Sep. 2006), pp.584-592, 9 p.
Publisher
Publication Date
2006-09-30
Country of Publication
Iraq
No. of Pages
9
Main Subjects
Natural & Life Sciences (Multidisciplinary)
Abstract EN
In this work, the electronic distribution of MnO2Cl2 is studied theoretically using ab-initio and semiempirical methods.
The molecular orbital calculations and energy level diagram appears that the unpaired electron lies in the metal ion x2 y2 3d − orbital mixed with a small amount of the z2 d orbital and it is strongly delocalized on the ligands.
From the calculations carried out the spread of unpaired electron population on ligand atomic orbitals besides the metal x2 y2 d − and z2 d orbitals makes from this metal complex is very useful as a catalyst.
American Psychological Association (APA)
Abbud, Hamid Ibrahim. 2006. Theoretical study for the electronic distribution of MNO2CL2. Journal of Babylon University : Journal of Applied and Pure Sciences،Vol. 12, no. 3, pp.584-592.
https://search.emarefa.net/detail/BIM-1344769
Modern Language Association (MLA)
Abbud, Hamid Ibrahim. Theoretical study for the electronic distribution of MNO2CL2. Journal of Babylon University : Journal of Applied and Pure Sciences Vol. 12, no. 3 (2006), pp.584-592.
https://search.emarefa.net/detail/BIM-1344769
American Medical Association (AMA)
Abbud, Hamid Ibrahim. Theoretical study for the electronic distribution of MNO2CL2. Journal of Babylon University : Journal of Applied and Pure Sciences. 2006. Vol. 12, no. 3, pp.584-592.
https://search.emarefa.net/detail/BIM-1344769
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 592
Record ID
BIM-1344769