Preference of C<sub>2v</sub> Symmetry in Low-Spin Hexacarbonyls of Rare-Earth and f Elements

The structures and bonding of selected neutral M(CO)<sub>6</sub> complexes (M = Sc, Y, La, Lu, Ac and U) have been studied by density functional theory calculations. The calculations revealed the preference for C<sub>2v</sub> symmetry and low-spin electronic state for most of...

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Bibliographic Details
Main Authors: Attila Kovács, Werner Klotzbücher
Format: Article
Language:English
Published: MDPI AG 2024-02-01
Series:Symmetry
Subjects:
Online Access:https://www.mdpi.com/2073-8994/16/2/178