Carbonyl compounds of Rh, Ir, and Mt: electronic structure, bonding and volatility

2020 ◽  
Vol 22 (33) ◽  
pp. 18681-18694
Author(s):  
M. Iliaš ◽  
V. Pershina

First bond dissociation energies and other properties have been predicted for carbonyl compounds of group-9 elements including those of element 109, Mt, from relativistic DFT and CC calculations. A remarkable Λ-shape of the trends is observed, caused by strong relativistic effects on the valence AOs of Mt.

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