Tungsten Hydride Phosphorus- and Arsenic-Bearing Molecules with Double and Triple W-P and W-As Bonds.

Title Tungsten Hydride Phosphorus- and Arsenic-Bearing Molecules with Double and Triple W-P and W-As Bonds.
Authors L. Andrews; H.G. Cho; Z. Fang; M. Vasiliu; D.A. Dixon
Journal Inorg Chem
DOI 10.1021/acs.inorgchem.8b00348
Abstract

Laser ablation of tungsten metal provides W atoms which react with phosphine and arsine during condensation in excess argon and neon, leading to major new infrared (IR) absorptions. Annealing, UV irradiation, and deuterium substitution experiments coupled with electronic structure calculations at the density functional theory level led to the assignment of the observed IR absorptions to the E?WH and HE?WH molecules for E = P and As. The potential energy surfaces for hydrogen transfer from PH to the W were calculated at the coupled-cluster CCSD(T)/complete basis set level. Additional weak bands in the phosphide and arsenide W-H stretching region are assigned to the molecules with loss of H from W, E?WH. The electronic structure calculations show that the E?WH molecules have a W-E triple bond, the HE?WH molecules have a W-E double bond, and the HE-WH molecules have a W-E single bond. The formation of multiple E-W bonds leads to increasing stability for the isomers.

Citation L. Andrews; H.G. Cho; Z. Fang; M. Vasiliu; D.A. Dixon.Tungsten Hydride Phosphorus- and Arsenic-Bearing Molecules with Double and Triple W-P and W-As Bonds.. Inorg Chem. 2018. doi:10.1021/acs.inorgchem.8b00348

Related Elements

Tungsten

See more Tungsten products. Tungsten (atomic symbol: W, atomic number: 74) is a Block D, Group 6, Period 6 element with an atomic weight of 183.84. The number of electrons in each of tungsten's shells is [2, 8, 18, 32, 12, 2] and its electron configuration is [Xe] 4f14 5d4 6s2. Tungsten Bohr ModelThe tungsten atom has a radius of 139 pm and a Van der Waals radius of 210 pm. Tungsten was discovered by Torbern Bergman in 1781 and first isolated by Juan José Elhuyar and Fausto Elhuyar in 1783. In its elemental form, tungsten has a grayish white, lustrous appearance. Elemental TungstenTungsten has the highest melting point of all the metallic elements and a density comparable to that or uranium or gold and about 1.7 times that of lead. Tungsten alloys are often used to make filaments and targets of x-ray tubes. It is found in the minerals scheelite (CaWO4) and wolframite [(Fe,Mn)WO4]. In reference to its density, Tungsten gets its name from the Swedish words tung and sten, meaning heavy stone.

Arsenic

See more Arsenic products. Arsenic (atomic symbol: As, atomic number: 33) is a Block P, Group 15, Period 4 element with an atomic radius of 74.92160. Arsenic Bohr ModelThe number of electrons in each of arsenic's shells is 2, 8, 18, 5 and its electron configuration is [Ar] 3d10 4s2 4p3. The arsenic atom has a radius of 119 pm and a Van der Waals radius of 185 pm. Arsenic was discovered in the early Bronze Age, circa 2500 BC. It was first isolated by Albertus Magnus in 1250 AD. In its elemental form, arsenic is a metallic grey, brittle, crystalline, semimetallic solid. Elemental ArsenicArsenic is found in numerous minerals including arsenolite (As2O3), arsenopyrite (FeAsS), loellingite (FeAs2), orpiment (As2S3), and realgar (As4S4). Arsenic has numerous applications as a semiconductor and other electronic applications as indium arsenide, silicon arsenide and tin arsenide. Arsenic is finding increasing uses as a doping agent in solid-state devices such as transistors.

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