Abstract:
The ab initio [MP2(fu)/6-311+G**] and DFT (B3LYP/6-311+G**) calculations predict aromatic stabilization of the planar structures of borafluorole, fluoraborabenzene and diborafluorabenzenes, boron-containing heterocycles with hypercoordinated fluorine centres.
Document Type:
Article
Language: English
Citation:
R. M. Minyaev, T. N. Gribanova, A. G. Milov, A. G. Starikov, V. I. Minkin, “Novel aromatic borafluorole, fluoraborabenzene and diborafluorabenzene heterocyclic systems: an ab initio study”, Mendeleev Commun., 12:2 (2002), 61–63
Linking options:
https://www.mathnet.ru/eng/mendc4092
https://www.mathnet.ru/eng/mendc/v12/i2/p61
This publication is cited in the following 3 articles:
Kelling J. Donald, Samuel Gillespie, Ziad Shafi, “Ouroboros: Heterocycles closed by dative σ bonds and stabilized by π delocalization”, Tetrahedron, 75:3 (2019), 335
O. A. Gapurenko, R. M. Minyaev, V. I. Minkin, “Quantum-chemical simulation of boron- and halogen-containing polymers”, Russ J Org Chem, 47:11 (2011), 1675
T. N. Gribanova, R. M. Minyaev, V. I. Minkin, “Theoretical design of planar systems with hypercoordinate p elements of the second period in a nonmetallic environment”, Russ J Gen Chem, 78:4 (2008), 750
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