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作者（2019）在《How long a C–C bond can be? An example of extraordinary long C–C single bond in 1,2-diarylamino-o-carborane》一文中研究指出：How long a C-C bond can be? A question has long fascinated chemists. This work reports an example of extraordinary long C-C bond distance of 1.990(4) ? observed in single-crystal X-ray structure of 1,2-(NHMes)2-o-carborane(2; Mes = 2,4,6-trimethylphenyl). DFT calculations show that hyperconjugation of lone pairs of the nitrogen atoms into the empty σ~* orbital of the cage C-C bond is the origin of the bond elongation. Such hyperconjugation can be suppressed if the two nitrogen atoms in 2 are linked to a Lewis acidic germanium(Ⅱ) center.
Abstract
How long a C-C bond can be? A question has long fascinated chemists. This work reports an example of extraordinary long C-C bond distance of 1.990(4) ? observed in single-crystal X-ray structure of 1,2-(NHMes)2-o-carborane(2; Mes = 2,4,6-trimethylphenyl). DFT calculations show that hyperconjugation of lone pairs of the nitrogen atoms into the empty σ~* orbital of the cage C-C bond is the origin of the bond elongation. Such hyperconjugation can be suppressed if the two nitrogen atoms in 2 are linked to a Lewis acidic germanium(Ⅱ) center.
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