Low-temperature NMR and IR Spectra of Photomerocyanine Form of Spirophenanthrooxazine

descriptionPublicationkeyboard_double_arrow_right Article 10 Jun 2003 English Publisher:Oxford University Press (OUP)Journal:Chemistry Letters, volume 32, pages 578-579 (issn: 0366-7022, eissn: 1348-0715,

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Authors: Duck-Hyung Lee; Myunghee Lee; Chinkap Chung; Weon-Hee Lee; In-Ja Lee;

doi: 10.1246/cl.2003.578

Low-temperature NMR and IR Spectra of Photomerocyanine Form of Spirophenanthrooxazine

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Abstract

Abstract Low-temperature 13C NMR and IR spectra of the metastable photomerocyanine (PMC) of spirophenanthrooxazine (SPO) show that PMC is in quinoidal structure. Especially, 13C NMR study directly evidences the formation of two quinoidal PMCs in CD2Cl2 upon UV irradiation. The quantum chemical study of SPO shows that among open forms TTC and CTC are more stable than TTT and CTT because of the formation of the intramolecular hydrogen bond.

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