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This article is cited in 8 scientific papers (total in 8 papers)
Low-energy barrier B4 ring puckering rearrangement of 1,6-diaza-closo-hexaborane: an ab initio study
R. M. Minyaev, V. I. Minkin, T. N. Gribanova, A. G. Starikov
Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation
Abstract:
The ab initio [MP2(fu)/6-311+G**] and DFT (B3LYP/6-311+G**) calculations predict stable structures of closo-diazaboranes 1,6-N2B4H4 and 1,2-N2B4H4, with the low-energy barrier B4 ring puckering rearrangement occurring in the 1,6-N2B4H4 stable structure.
Citation:
R. M. Minyaev, V. I. Minkin, T. N. Gribanova, A. G. Starikov, “Low-energy barrier B4 ring puckering rearrangement of 1,6-diaza-closo-hexaborane: an ab initio study”, Mendeleev Commun., 11:4 (2001), 132–134
Linking options:
https://www.mathnet.ru/eng/mendc4256 https://www.mathnet.ru/eng/mendc/v11/i4/p132
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