Thermal activation of methane by vanadium boride cluster cations VB (n = 3-6).

Title Thermal activation of methane by vanadium boride cluster cations VB (n = 3-6).
Authors Q. Chen; Y.X. Zhao; L.X. Jiang; H.F. Li; J.J. Chen; T. Zhang; Q.Y. Liu; S.G. He
Journal Phys Chem Chem Phys
DOI 10.1039/c8cp00071a
Abstract

Investigation on the reactivity of atomic clusters represents an important approach to discover new species to activate and transform methane, the most stable alkane molecule. While a few types of transition metal species have been found to be capable of cleaving the C-H bond of methane, methane activation by the transition metal boride species has not been explored yet. This study reports that vanadium boride cluster cations VB (n = 3-6) can dehydrogenate methane under thermal collision conditions. The mechanistic details of the efficient reactions have been elucidated by quantum chemistry calculations on the VB reaction system. Compared to the non-polar bare B cluster, the B moiety in VB can be polarized by the V cation and thus its reactivity toward methane can be much enhanced. This study provides new insights into the rational design of boron-based catalysts for methane activation.

Citation Q. Chen; Y.X. Zhao; L.X. Jiang; H.F. Li; J.J. Chen; T. Zhang; Q.Y. Liu; S.G. He.Thermal activation of methane by vanadium boride cluster cations VB (n = 3-6).. Phys Chem Chem Phys. 2018;20(7):46414645. doi:10.1039/c8cp00071a

Related Elements

Boron

See more Boron products. Boron Bohr ModelBoron (atomic symbol: B, atomic number: 5) is a Block P, Group 13, Period 2 element with an atomic weight of 10.81. The number of electrons in each of boron's shells is 2, 3 and its electron configuration is [He] 2s2 2p1. The boron atom has a radius of 90 pm and a Van der Waals radius of 192 pm. Boron was discovered by Joseph Louis Gay-Lussac and Louis Jacques Thénard in 1808 and was first isolated by Humphry Davy later that year. Boron is classified as a metalloid is not found naturally on earth. Elemental BoronAlong with carbon and nitrogen, boron is one of the few elements in the periodic table known to form stable compounds featuring triple bonds. Boron has an energy band gap of 1.50 to 1.56 eV, which is higher than that of either silicon or germanium. The name Boron originates from a combination of carbon and the Arabic word buraqu meaning borax.

Vanadium

See more Vanadium products. Vanadium (atomic symbol: V, atomic number: 23) is a Block D, Group 5, Period 4 element with an atomic weight of 50.9415. Vanadium Bohr ModelThe number of electrons in each of Vanadium's shells is 2, 8, 11, 2 and its electron configuration is [Ar] 3d3 4s2. The vanadium atom has a radius of 134 pm and a Van der Waals radius of 179 pm. Vanadium was discovered by Andres Manuel del Rio in 1801 and first isolated by Nils Gabriel Sefström in 1830. In its elemental form, vanadium has a bluish-silver appearance. Elemental VanadiumIt is a hard, ductile transition metal that is primarily used as a steel additive and in alloys such as Titanium-6AL-4V, which is composed of titanium, aluminum, and vanadium and is the most common titanium alloy commercially produced. Vanadium is found in fossil fuel deposits and 65 different minerals. Vanadium is not found free in nature; however, once isolated it forms an oxide layer that stabilizes the free metal against further oxidation. Vanadium was named after the word "Vanadis" meaning goddess of beauty in Scandinavian mythology.

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