Stability and three-dimensional aromaticity of closo-NB(n-1)H n azaboranes, n = 5-12

Computations on all the possible positional isomers of the closo-azaboranes NB(n)()(-)(1)H(n)() (n = 5-12) reveal substantial differences in the relative energies. Data at the B3LYP/6-311+G level of density functional theory (DFT) agree well with expectations based on the topological charge stabiliz...

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Veröffentlicht in:	Inorganic chemistry 2003-06, Vol.42 (13), p.4190-4203
Hauptverfasser:	Najafian, Katayoun, Schleyer, Paul von Rague, Tidwell, Thomas T
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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