Abstract
Matrix isolation IR spectroscopy and quantum-chemical calculations were jointly used to identify the system of bands related to Ni3 clusters. The positions of two low-lying electronic states were determined, and vibrational frequencies and geometry in the ground and excited states were estimated. In all the calculated states, Ni3 had the structure of an isosceles triangle. In the X3B2 ground and a3B1 lower excited states, this was an acute-angled triangle. In the b3B2 and c3B1 excited states, the triangle was obtuse-angled.
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