Fig. 5: Bonding analysis and reactivity of 2a–2c. | Nature Synthesis

Fig. 5: Bonding analysis and reactivity of 2a–2c.

From: Reactions of a Zn–Zn bond with main group carbene analogues as a prototypical case of reductive addition

Fig. 5

a AIM plot of 2a showing Laplacian of electron density ∇2ρ(r) between silicon and zinc. b, Independent gradient model based on Hirshfield partition analysis of 2b. c, Wiberg bond indices for the E–Zn bonds in 2a–2c. d, Natural population analysis charges at key atomic sites on 2a–2c. e, AIM charges at key atomic sites in 2a–2c. f, NLMOs for the E–Zn bonds of 2a along with calculated coefficients for partitioning of NLMOs between E and Zn. g, Reaction of 2b with MeI. Ar, 2,6-di-iso-propylphenyl.

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