Geometry and bonding of small binary boron-aluminum clusters BnAln (n=1-7): Electron donation and interlocking aromaticity

© 2018 Elsevier B.V. Binary B n Al n clusters (n = 1-7) were investigated using both DFT/TPSSh and G4 calculations. B and Al atoms do not mix together but prefer to be assembled in two separated but interacting B n and Al n components. Large electron donation from Al to B atoms induces a donor-accep...

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Veröffentlicht in:	CHEMICAL PHYSICS LETTERS 2019-01, Vol.714, p.87-93
Hauptverfasser:	Dang, Thi Tuyet Mai, Hung, Tan Pham, Nguyen, Minh Tam, Minh, Tho Nguyen
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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