In:
European Journal of Inorganic Chemistry, Wiley, Vol. 2012, No. 30 ( 2012-10), p. 4856-4866
Kurzfassung:
Al n L n 0/2– ( n = 4–7, 12), Al n L n +2 ( n = 4–7), and Al 4 L 8 clusters were investigated by using the global‐search‐algorithm‐for‐minima approach and DFT calculations at the BP86/LANL2DZ level of theory. These investigations indicate that most of the computed species are viable and diamagnetic, although there is no clear general relationship between their shapes and their electron counts. Al 4 H 8 and Al 4 Cl 8 appear to be the most stable compounds in the investigated series.
Materialart:
Online-Ressource
ISSN:
1434-1948
,
1099-0682
DOI:
10.1002/ejic.v2012.30
DOI:
10.1002/ejic.201200415
Sprache:
Englisch
Verlag:
Wiley
Publikationsdatum:
2012
ZDB Id:
1475009-0
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