Stretched Central Double Bonds in Dialumene and Disilene by Amino Substituents: A Case of Lone Pair Repulsion.

Zhang, Huaiyu; Wang, Yating; Lu, Qingrui; Song, Jinshuai; Duan, Yandong; Zeng, Yanli; Mo, Yirong

Zhang, Huaiyu; Wang, Yating; Lu, Qingrui; Song, Jinshuai; Duan, Yandong; Zeng, Yanli; Mo, Yirong.

Afiliação

Zhang H; Institute of Computational Quantum Chemistry, and Hebei Key Laboratory of Inorganic Nano-materials, College of Chemistry and Materials Science, Hebei Normal University, Shijiazhuang, 050024, China.
Wang Y; Institute of Computational Quantum Chemistry, and Hebei Key Laboratory of Inorganic Nano-materials, College of Chemistry and Materials Science, Hebei Normal University, Shijiazhuang, 050024, China.
Lu Q; Institute of Computational Quantum Chemistry, and Hebei Key Laboratory of Inorganic Nano-materials, College of Chemistry and Materials Science, Hebei Normal University, Shijiazhuang, 050024, China.
Song J; Green Catalysis Center, and College of Chemistry, Zhengzhou University, Zhengzhou, 450001, China.
Duan Y; Hebei Key Laboratory of Photoelectric Control on Surface and Interface, School of Sciences, Hebei University of Science and Technology, Shijiazhuang, 050018, China.
Zeng Y; Institute of Computational Quantum Chemistry, and Hebei Key Laboratory of Inorganic Nano-materials, College of Chemistry and Materials Science, Hebei Normal University, Shijiazhuang, 050024, China.
Mo Y; Department of Nanoscience, Joint School of Nanoscience and Nanoengineering, University of North Carolina at Greensboro, Greensboro, NC 27401, USA.

Chemistry ; 29(58): e202301862, 2023 Oct 18.

Article em En | MEDLINE | ID: mdl-37506171

Palavras-chave

block-localized wavefunction (BLW) method; dialumene; disilene; lone pair repulsion

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chemistry Assunto da revista: QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: China

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