Details

Autor(en) / Beteiligte

• Türker, Lemi

Titel

Furoxan Derivatives of Pyrene – A DFT Study

Ist Teil von

• Polycyclic aromatic compounds, 2018-05, Vol.38 (3), p.257-271

Ort / Verlag

Philadelphia: Taylor & Francis Ltd

Erscheinungsjahr

2018

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• 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.