Fig. 6: Electronic structure analysis of [M@Pb11]3− and [M@MPb11]2−. | Nature Communications

Fig. 6: Electronic structure analysis of [M@Pb11]3− and [M@MPb11]2−.

From: A family of lead clusters with precious metal cores

Fig. 6

Optimized structures of [M@Pb11]3− and [M@MPb11]2−, and a Kohn–Sham molecular orbital diagram showing the interaction between Au+ and the nido-icosahedral fragment [Au@Pb11]3−. The doubly degenerate e1 orbitals are viewed down the principal axis.

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