Furoxan Derivatives of Pyrene - A DFT Study

Date

2018-01-01

Author

Türker, Burhan Lemi

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Furoxan-fused pyrenes and their dinitroso derivatives (obtained by furoxan ring opening) are considered for density functional treatment at the level of B3LYP/6-31G(d,p). Embedded benzofuroxan moiety in the furoxan-fused pyrene system is thought to undergo ring opening and reclosure process analogously to benzofuroxan itself. The stabilities, structural features, NICS(0) values, IR, and UV-VIS spectral aspects, etc., are investigated comparatively for these isomeric furoxan-fused pyrenes and their isomeric dinitroso derivatives.

Subject Keywords

Organic Chemistry, Materials Chemistry, Polymers and Plastics

URI

https://hdl.handle.net/11511/58009

Journal

POLYCYCLIC AROMATIC COMPOUNDS

DOI

https://doi.org/10.1080/10406638.2016.1200637

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, “Furoxan Derivatives of Pyrene - A DFT Study,” POLYCYCLIC AROMATIC COMPOUNDS, pp. 257–271, 2018, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/58009.