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Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes

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Abstract

A series of 1,2-N-substituted o-carboranes were obtained. The C–C bond lengths of secondary-amino o-carboranes 3 were compared. The relationship between C–C distances and the electron effects of the benzyl groups was discussed. DFT calculations with and without dispersion energy correction show that significant attractive dispersion forces were present, which arise from the skeletons of the o-carborane cages.

Graphical abstract: Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes

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Publication details

The article was received on 11 Dec 2018, accepted on 24 Jan 2019 and first published on 24 Jan 2019


Article type: Paper
DOI: 10.1039/C8DT04877K
Citation: Dalton Trans., 2019, Advance Article

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    Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes

    R. Pang, J. Li, Z. Cui, C. Zheng, Z. Li, W. Chen, F. Qi, L. Su and X. Xiao, Dalton Trans., 2019, Advance Article , DOI: 10.1039/C8DT04877K

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