Oxygen Release from Cationic Niobium-Vanadium Oxide Clusters, NbnVmOk(+), Revealed by Gas Phase Thermal Desorption Spectrometry and Density Functional Theory Calculations.

Title Oxygen Release from Cationic Niobium-Vanadium Oxide Clusters, NbnVmOk(+), Revealed by Gas Phase Thermal Desorption Spectrometry and Density Functional Theory Calculations.
Authors D. Masuzaki; T. Nagata; F. Mafuné
Journal J Phys Chem A
DOI 10.1021/acs.jpca.7b01961
Abstract

Thermal dissociation of the cationic niobium-vanadium oxide clusters, NbnVmOk(+) (n + m = 2-8), was investigated by gas phase thermal desorption spectrometry. The oxygen-rich NbnVmOk(+) released O and O2 for odd and even values of n + m, respectively. Substitution of more than one Nb atom in NbnOk(+) by V drastically lowered the desorption temperature of O2 for even values of n + m, whereas the substitution of more than two Nb atoms opened a new desorption path involving the release of O2 for odd values of n + m. The substitution effects can be explained by the fact that Nb atoms display the +5 state, whereas V atoms can exist in either the +4 or +5 states. The geometrical structures of selected NbnVmOk(+) clusters were optimized and the energetics of the release of O/O2 from the clusters was discussed on the basis of the results of DFT calculations.

Citation D. Masuzaki; T. Nagata; F. Mafuné.Oxygen Release from Cationic Niobium-Vanadium Oxide Clusters, NbnVmOk(+), Revealed by Gas Phase Thermal Desorption Spectrometry and Density Functional Theory Calculations.. J Phys Chem A. 2017;121(20):38643870. doi:10.1021/acs.jpca.7b01961

Related Elements

Niobium

41 Nb 92.906380000 Niobium

See more Niobium products. Niobium (atomic symbol: Nb, atomic number: 41) is a Block D, Group 5, Period 5 element with an atomic weight of 92.90638. Niobium Bohr ModelThe number of electrons in each of niobium's shells is 2, 8, 18, 12, 1 and its electron configuration is [Kr] 4d4 5s1. The niobium atom has a radius of 146 pm and a Van der Waals radius of 207 pm. Niobium was discovered by Charles Hatchett in 1801 and first isolated by Christian Wilhelm Blomstrand in 1864. In its elemental form, niobium has a gray metallic appearance. Niobium has the largest magnetic penetration depth of any element and is one of three elemental type-II superconductors (Elemental Niobiumalong with vanadium and technetium). Niobium is found in the minerals pyrochlore, its main commercial source, and columbite. The word Niobium originates from Niobe, daughter of mythical Greek king Tantalus.

Vanadium

23 V 50.941500000 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.

Related Forms & Applications

Oxides
Publish your research on the American Elements website