Bulletin of the Chemical Society of Japan

The Carbon-13 NMR Spectra and Electronic Structure of 3H-Phenothiazin-3-one and Its Methyl Derivatives

K Hasegawa, Y Ueno

Index: Hasegawa, Kan-ichi; Ueno, Yoshio Bulletin of the Chemical Society of Japan, 1984 , vol. 57, # 2 p. 510 - 517

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Citation Number: 5

Abstract

The 13 C NMR chemical shifts of 3H-phenothiazin-3-one (1) and eleven of its methyl derivatives are reported. The effect of including sulfur 3d orbitals is discussed in relation to the 13 C chemical shifts. The chemical shifts of 1 can be explained in terms of both the successive polarization of the long π-conjugated framework promoted by the carbonyl group and the contribution of the sulfur d-orbitals. The 13 C chemical shifts gave a better ...