The molecular structure of dicyclopentadienylzinc (zincocene) determined by gas electron diffraction and density functional theory calculations: η5,η5, η3, η3 or η5, η1 coordination of the ligand rings?

Arne Haaland,Svein Samdal,Natalya V Tverdova,Georgii V. Girichev,Nina I Giricheva,Sergej A Shlykov,Oleg G Garkusha,Boris V. Lokshin

The molecular structure of dicyclopentadienylzinc (zincocene) determined by gas electron diffraction and density functional theory calculations: η5,η5, η3, η3 or η5, η1 coordination of the ligand rings?

2003

Arne Haaland
Svein Samdal
Natalya V Tverdova
Georgii V. Girichev
Nina I Giricheva
Sergej A Shlykov
Oleg G Garkusha
Boris V. Lokshin

Abstract Structure refinements to gas electron diffraction data and density functional theory calculations at the B3LYP/LanL2DZ level show that dicyclopentadienylzinc, Cp 2 Zn, has an η 5 ,η 1 slip sandwich molecular structure in the gas phase.

Keywords:

Slip (materials science)
Molecule
Electron diffraction
Chemistry
Density functional theory
Gas electron diffraction
Crystallography
Molecular physics
Electron density
Ligand
gas phase
Chemical physics
Photochemistry

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