Publication

Experimental and theoretical characterization of the Zn-Zn bond in [Zn2([eta]5-C5Me5)2]

Philip Pattison
2007
Journal Articles

Abstract

The experimental electron density obtained from a multipole refinement of the synchrotron X-ray data for the title complex, together with theoretical ab initio calculations of the electron density at the molecular geometry obtained from neutron diffraction data provide a complete characterization of both its Zn-Zn and Zn-Cp* bonds.

Official source

https://infoscience.epfl.ch/entities/publication/c60b4294-0ccc-4aaf-9d2f-5bb756049b10

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Philip Pattison
2007
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/c60b4294-0ccc-4aaf-9d2f-5bb756049b10

About this result

Related concepts (32)

Zinc

Zinc is a chemical element with the symbol Zn and atomic number 30. Zinc is a slightly brittle metal at room temperature and has a shiny-greyish appearance when oxidation is removed. It is the first element in group 12 (IIB) of the periodic table. In some respects, zinc is chemically similar to magnesium: both elements exhibit only one normal oxidation state (+2), and the Zn2+ and Mg2+ ions are of similar size. Zinc is the 24th most abundant element in Earth's crust and has five stable isotopes.

Zinc bromide

Zinc bromide (ZnBr2) is an inorganic compound with the chemical formula ZnBr2. It is a colourless salt that shares many properties with zinc chloride (ZnCl2), namely a high solubility in water forming acidic solutions, and good solubility in organic solvents. It is hygroscopic and forms a dihydrate ZnBr2·2H2O. ZnBr2 · 2H2O is prepared by treating zinc oxide or zinc metal with hydrobromic acid. ZnO + 2 HBr + H2O → ZnBr2·2H2O Zn + 2 HBr → ZnBr2 + H2 The anhydrous material can be produced by dehydration of the dihydrate with hot CO2 or by reaction of zinc metal and bromine.

Neutron diffraction

Neutron diffraction or elastic neutron scattering is the application of neutron scattering to the determination of the atomic and/or magnetic structure of a material. A sample to be examined is placed in a beam of thermal or cold neutrons to obtain a diffraction pattern that provides information of the structure of the material. The technique is similar to X-ray diffraction but due to their different scattering properties, neutrons and X-rays provide complementary information: X-Rays are suited for superficial analysis, strong x-rays from synchrotron radiation are suited for shallow depths or thin specimens, while neutrons having high penetration depth are suited for bulk samples.

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