Abstract:
The ab initio structures and thermodynamic properties of 1,6-dicarba-closo-hexaborane (1,6-C2B4H6) and its isomers support the possibility that at very high combustion temperatures, rearrangement into a higher energy, but more reactive, isomer with an exo-[BH2] group may precede the actual oxidation process.
Document Type:
Article
Language: English
Citation:
V. G. Slutsky, M. Hofmann, P. Schleyer, “On the Combustion of 1,6-Dicarba-closo-hexaborane”, Mendeleev Commun., 4:1 (1994), 12–14
Linking options:
https://www.mathnet.ru/eng/mendc5131
https://www.mathnet.ru/eng/mendc/v4/i1/p12
This publication is cited in the following 8 articles:
D. V. Steglenko, S. A. Zaitsev, R. M. Minyaev, V. I. Minkin, “Computer Design of Two-Dimensional Monolayers with Octahedral 1,6-Carborane Units”, Russ. J. Inorg. Chem., 64:8 (2019), 1031
Ying-ying Xue, Yi-hong Ding, “New global minima of 6-vertex dicarboranes: classical but unexpected”, Chem. Commun., 55:45 (2019), 6373
Russell N. Grimes, Carboranes, 2016, 23
Jiji Zhang, Zhenyang Lin, Zuowei Xie, “DFT Studies on Structures, Stabilities, and Electron Affinities of closo-Supercarboranes C2Bn–2Hn (n = 13–20)”, Organometallics, 34:23 (2015), 5576
Russell N. Grimes, Carboranes, 2011, 27
James O. Jensen, “Vibrational frequencies and structural determination of 1,6-dicarba-closo-hexaborane(6)”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 60:1-2 (2004), 57
Paul von Ragué Schleyer, Katayoun Najafian, “Stability and Three-Dimensional Aromaticity ofcloso-Monocarbaborane Anions, CBn-1Hn-, andcloso-Dicarboranes, C2Bn-2Hn”, Inorg. Chem., 37:14 (1998), 3454
Vladislav G. Slutsky, Sergei A. Tsyganov, Eugeny S. Severin, “The mechanism of high-temperature oxidation of carborane C2B4H6 by water vapor”, Symposium (International) on Combustion, 27:1 (1998), 405
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