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. 2023 Jul 19;19:1028–1046. doi: 10.3762/bjoc.19.79

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Copyright © 2023, Cao et al.

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Spin density surfaces of the dyads in the T₁ state (gas phase) of (a) NI-PTZ-F, (b) NI-PTZ-Ph, (c) NI-PTZ-CH₃, (d) NI-PTZ-OCH₃, (e) NI-PTZ-F-O, and (f) NI-PTZ-Ph-O. Calculated at the B3LYP/6-31G(d) level of theory using Gaussian 09. Isovalues = 0.02.