Ab initio and dft studies on certain eta(6)-Anthraquinone-Cr(CO)(3) complexes

Date

2008-01-01

Author

Türker, Burhan Lemi
Gumus, Selcuk

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eta(6)-1,2-, 1,4- and 9, 10-Anthraquinone-Cr (CO)(3) complexes are subjected to RHF/6-31 G(d, p), B3LYP/6-31 G(d) and B3LYP/6-31 G(d, p) type quantum chemical treatment. In each case the 9, 10-anthraquinone complex has been found to be more stable than the others. The least stable complexes originate from 1, 2-anthraquinone.

Subject Keywords

Organic Chemistry, Materials Chemistry, Polymers and Plastics

URI

https://hdl.handle.net/11511/57475

Journal

POLYCYCLIC AROMATIC COMPOUNDS

DOI

https://doi.org/10.1080/10406630802142862

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker and S. Gumus, “Ab initio and dft studies on certain eta(6)-Anthraquinone-Cr(CO)(3) complexes,” POLYCYCLIC AROMATIC COMPOUNDS, pp. 181–192, 2008, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57475.