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Structure and bonding in haloarylgallyl complexes of iron, ruthenium and osmium [(η5-C5H5)(CO)2M{Ga(X)(Ph)}]: A theoretical study

✍ Scribed by Krishna K. Pandey; Pankaj Patidar

Book ID: 116680156
Publisher: Elsevier Science
Year: 2011
Tongue: English
Weight: 643 KB
Volume: 696
Category: Article
ISSN: 0022-328X
DOI: 10.1016/j.jorganchem.2011.07.043

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## Abstract The equilibrium geometries, the energies, the harmonic vibrational frequencies, and the nucleus independent chemical shifts (NICSs) of the ground state of (η^5^‐P~5~)MM′(η^5^‐P~5~) and (η^5^‐C~5~H~5~)MM′(η^5^‐P~5~) (M, M′ = Zn, Cd) are calculated by the hybrid density functional method