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1 article(s) from Kako, Masahiro

Two-fold addition reaction of silylene to C₆₀: structural and electronic properties of a bis-adduct

Masahiro Kako,
Masato Kai,
Masanori Yasui,
Michio Yamada,
Yutaka Maeda and
Takeshi Akasaka

Beilstein J. Org. Chem. 2024, 20, 1179–1188, doi:10.3762/bjoc.20.100

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Figure 1: Positional notation of 6,6-bonds in a mono-adduct of C₆₀ with the first addition site indicated usi...

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Scheme 1: Synthesis of silylene adducts 2 and 3.

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Figure 2: Absorption spectrum of 3 in CH₂Cl₂.

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Figure 3: 500 MHz ¹H NMR spectrum of 3 in CDCl₃/CS₂ 3:1.

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Figure 4: 125 MHz ¹³C NMR spectrum of 3 in CDCl₃/CS₂ 3:1. The signals of sp² carbons of C₆₀ and quaternary ca...

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Figure 5: ORTEP drawing of 3 showing thermal ellipsoids at the 50% probability level at 100 K. Hydrogen atoms...

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Figure 6: (a) Partial structures of isomers of Dip₂SiC₆₀. (b) Optimized structures of 2a and 2c. Hydrogen ato...

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Figure 7: Optimized structures of 3_cis_-2, 3_cis_-3, 3_e, 3_trans_-1, 3_trans_-2, 3_trans_-3, and 3_trans_-4. Values in p...

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Figure 8: (a) LUMO and (b) HOMO of 2a calculated at the B3LYP/6-31G(d) level. Hydrogen atoms are omitted for ...

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Figure 9: Cyclic voltammograms (CV) and differential pulse voltammograms (DPV) of 3 in o-dichlorobenzene cont...

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Published 22 May 2024

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Two-fold addition reaction of silylene to C60: structural and electronic properties of a bis-adduct

Two-fold addition reaction of silylene to C₆₀: structural and electronic properties of a bis-adduct