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Two-fold addition reaction of silylene to C60: structural and electronic properties of a bis-adduct.
Kako, Masahiro; Kai, Masato; Yasui, Masanori; Yamada, Michio; Maeda, Yutaka; Akasaka, Takeshi.
Afiliación
  • Kako M; Department of Engineering Science, The University of Electro-Communications, Chofu 182-8585, Japan.
  • Kai M; Department of Engineering Science, The University of Electro-Communications, Chofu 182-8585, Japan.
  • Yasui M; Department of Engineering Science, The University of Electro-Communications, Chofu 182-8585, Japan.
  • Yamada M; Department of Chemistry, Tokyo Gakugei University, Tokyo 184-8501, Japan.
  • Maeda Y; Department of Chemistry, Tokyo Gakugei University, Tokyo 184-8501, Japan.
  • Akasaka T; TARA Center, University of Tsukuba, Tsukuba 305-8577, Japan.
Beilstein J Org Chem ; 20: 1179-1188, 2024.
Article en En | MEDLINE | ID: mdl-38887572
ABSTRACT
The addition reaction of C60 with silylene 1, a silicon analog of carbene, yielded the corresponding bis-adduct 3. The structure of 3 was determined by single-crystal X-ray structure analysis, representing the first example of a crystal structure of a silirane (silacyclopropane) derivative of fullerenes. Electrochemical measurements confirmed that the redox potentials of 3 are shifted cathodically compared to those of the parent mono-adduct 2. Density functional theory (DFT) calculations provided the basis for the electronic properties of compound 3.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Beilstein J Org Chem Año: 2024 Tipo del documento: Article País de afiliación: Japón Pais de publicación: Alemania

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Beilstein J Org Chem Año: 2024 Tipo del documento: Article País de afiliación: Japón Pais de publicación: Alemania