Issue 21, 2019

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

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

Supplementary files

Article information

Article type
Paper
Submitted
11 N’w 2018
Accepted
24 Sun 2019
First published
24 Sun 2019

Dalton Trans., 2019,48, 7242-7248

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, 48, 7242 DOI: 10.1039/C8DT04877K

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