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• W4200313635 endingPage "1119" @default.
• W4200313635 startingPage "1113" @default.
• W4200313635 abstract "The possibility of the transfer of the TH3 group across a tetrel bond is considered by ab initio calculations. The TB is constructed by pairing PhTH3 (Ph = phenyl; T = Si and Ge) with bases NH3, NHCH2, and the C3N2H4 carbene. The TH3 moves toward the base but only by a small amount in these dimers. However, when a Be2+ or Mg2+ dication is placed above the phenyl ring, the tetrel bond strength is greatly magnified reaching up to nearly 100 kcal mol-1. This dication also induces a much higher degree of transfer which can be best categorized as half-transfer for the two N-bases and a near complete transfer for the carbene." @default.
• W4200313635 created "2021-12-31" @default.
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• W4200313635 date "2022-01-01" @default.
• W4200313635 modified "2023-10-15" @default.
• W4200313635 title "Promotion of TH₃ (T = Si and Ge) group transfer within a tetrel bond by a cation–π interaction" @default.
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• W4200313635 doi "https://doi.org/10.1039/d1cp05323j" @default.
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