Liberation of three dihydrogens from two ethene molecules as mediated by the tantalum nitride anion cluster Ta3N2(-) at room temperature.

Title Liberation of three dihydrogens from two ethene molecules as mediated by the tantalum nitride anion cluster Ta3N2(-) at room temperature.
Authors J.C. Hu; L.L. Xu; H.F. Li; D.Yubero Valdivielso; A. Fielicke; S.G. He; J.B. Ma
Journal Phys Chem Chem Phys
DOI 10.1039/c6cp06896k
Abstract

The reactivity of gas-phase cluster anions Ta3N2(-) with C2H4 under thermal collision conditions was studied by mass spectrometry in conjunction with density functional theory calculations. The full dehydrogenation of the C2H4 molecule was observed, with the formation of two dihydrogen molecules. Interestingly, the two carbon atoms originating from the first C2H4 molecule are used to construct another cluster Ta3N2C2(-), which can activate one more C2H4 releasing one H2 molecule. Therefore, three dihydrogen molecules are liberated from two ethene molecules in the overall reaction. The full dehydrogenation of C2H4 by gas-phase anions as well as the structure and reactivity of M-N-C (M: transition metal) cluster is reported for the first time. The properties of Ta3N2(-) and Ta3N2C2(-) elucidated herein are of use in providing fundamental information that is necessary to tailor the design of new and effective catalysts by applying the related materials.

Citation J.C. Hu; L.L. Xu; H.F. Li; D.Yubero Valdivielso; A. Fielicke; S.G. He; J.B. Ma.Liberation of three dihydrogens from two ethene molecules as mediated by the tantalum nitride anion cluster Ta3N2(-) at room temperature.. Phys Chem Chem Phys. 2017. doi:10.1039/c6cp06896k

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Tantalum

See more Tantalum products. Tantalum (atomic symbol: Ta, atomic number: 73) is a Block D, Group 5, Period 6 element with an atomic weight of 180.94788. Tantalum Bohr ModelThe number of electrons in each of tantalum's shells is [2, 8, 18, 32, 11, 2] and its electron configuration is [Xe] 4f14 5d3 6s2. The tantalum atom has a radius of 146 pm and a Van der Waals radius of 217 pm. High Purity (99.999%) Tantalum (Ta) MetalTantalum was first discovered by Anders G. Ekeberg in 1802 in Uppsala, Sweden however, it was not until 1844 when Heinrich Rose first recognized it as a distinct element. In its elemental form, tantalum has a grayish blue appearance. Tantalum is found in the minerals tantalite, microlite, wodginite, euxenite, and polycrase. Due to the close relation of tantalum to niobium in the periodic table, Tantalum's name originates from the Greek word Tantalos meaning Father of Niobe in Greek mythology.

Nitrogen

See more Nitrogen products. Nitrogen is a Block P, Group 15, Period 2 element. Its electron configuration is [He]2s22p3. Nitrogen is an odorless, tasteless, colorless and mostly inert gas. It is the seventh most abundant element in the universe and it constitutes 78.09% (by volume) of Earth's atmosphere. Nitrogen was discovered by Daniel Rutherford in 1772.

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