Scandium(III) hydride

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Scandium(III) hydride
Names
Other names
Identifiers
3D model (JSmol)
PubChem CID
  • InChI=1S/Sc.3H
    Key: NTLPNEDDYLQQDI-UHFFFAOYSA-N
  • [ScH3]
Properties
ScH
3
Molar mass 47.97973 g mol−1
Structure
C3v
Trigonal
Irregular tetrahedral
Related compounds
Related scandiums
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Scandium trihydride is an unstable molecular chemical compound with the chemical formula ScH3. It has been formed as one of a number of other molecular scandium hydride products at low temperature using laser ablation and identified by infrared spectroscopy. [1] Scandium trihydride has recently been the subject of DiracHartree–Fock relativistic calculation studies, which investigate the stabilities, geometries, and relative energies of hydrides of the formula MH3, MH2, or MH.

Properties and bonding

Scandium trihydride is a quastrigonal planar molecule with three equivalent Sc-H bonds. (C3v) structure an equilibrium distance between Sc and hydrogen of 182.0 pm, the bond angle is 119.2 degrees. By weight percent, the composition of scandium trihydride is 6.30% hydrogen and 93.70% scandium. In scandium trihydride, the formal oxidation states of hydrogen and scandium are -1 and +3 respectively, because of the electronegativity of scandium is lower than that of hydrogen. The stability of metal hydrides with the formula MH3 (M = Sc-Lu) increases as the atomic number of M increases. [1]

Early theoretical studies of ScH3 revealed that the molecule is unstable, the bulk substance is likely to be a colourless gas with a low activation energy toward the conversion into trimeric clusters due to the electron deficient nature of the monomer, not unlike the group 13 hydrides. One major difference, is that the dimer is the most stable cluster for group 13 hydrides. This can be attributed to the distortion caused by the d-orbitals. It cannot be made by methods used to synthesise BH3 or AlH3.

Related Research Articles


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Helium hydride ion Chemical compound

The helium hydride ion or hydridohelium(1+) ion or helonium is a cation (positively charged ion) with chemical formula HeH+. It consists of a helium atom bonded to a hydrogen atom, with one electron removed. It can also be viewed as protonated helium. It is the lightest heteronuclear ion, and is believed to be the first compound formed in the Universe after the Big Bang.

Plumbane Chemical compound

Plumbane, PbH4, is a metal hydride and group 14 hydride composed of lead and hydrogen. Plumbane is not well characterized or well known, and it is thermodynamically unstable with respect to the loss of a hydrogen atom. Derivatives of plumbane include lead tetrafluoride, PbF4, and tetraethyllead, (CH3CH2)4Pb.

Positronium hydride

Positronium hydride, or hydrogen positride is an exotic molecule consisting of a hydrogen atom bound to an exotic atom of positronium. Its formula is PsH. It was predicted to exist in 1951 by A Ore, and subsequently studied theoretically, but was not observed until 1990. R. Pareja, R. Gonzalez from Madrid trapped positronium in hydrogen laden magnesia crystals. The trap was prepared by Yok Chen from the Oak Ridge National Laboratory. In this experiment the positrons were thermalized so that they were not traveling at high speed, and they then reacted with H ions in the crystal. In 1992 it was created in an experiment done by David M. Schrader and F.M. Jacobsen and others at the Aarhus University in Denmark. The researchers made the positronium hydride molecules by firing intense bursts of positrons into methane, which has the highest density of hydrogen atoms. Upon slowing down, the positrons were captured by ordinary electrons to form positronium atoms which then reacted with hydrogen atoms from the methane.

Zinc hydride is an inorganic compound with the chemical formula ZnH2. It is a white, odourless solid which slowly decomposes into its elements at room temperature; despite this it is the most stable of the binary first row transition metal hydrides. A variety of coordination compounds containing Zn-H bonds are used as reducing agents, however ZnH2 itself has no common applications.

Binary compounds of hydrogen are binary chemical compounds containing just hydrogen and one other chemical element. By convention all binary hydrogen compounds are called hydrides even when the hydrogen atom in it is not an anion. These hydrogen compounds can be grouped into several types.

Cadmium hydride is an inorganic compound with the chemical formula (CdH
2
)
n
. It is a solid, known only as a thermally unstable, insoluble white powder.

Indium trihydride Chemical compound

Indium trihydride is an inorganic compound with the chemical formula (InH
3
). It has been observed in matrix isolation and laser ablation experiments. Gas phase stability has been predicted. The infrared spectrum was obtained in the gas phase by laser ablation of indium in presence of hydrogen gas InH3 is of no practical importance

Mercury(I) hydride is an inorganic compound with the chemical formula HgH. It has not yet been obtained in bulk, hence its bulk properties remain unknown. However, molecular mercury(I) hydrides with the formulae HgH and Hg
2
H
2
have been isolated in solid gas matrices. The molecular hydrides are very unstable toward thermal decomposition. As such the compound is not well characterised, although many of its properties have been calculated via computational chemistry.

Thallane is an inorganic compound with the empirical chemical formula TlH
3
. It has not yet been obtained in bulk, hence its bulk properties remain unknown. However, molecular thallane has been isolated in solid gas matrices. Thallane is mainly produced for academic purposes.

Titanium(IV) hydride is an inorganic compound with the empirical chemical formula TiH
4
. It has not yet been obtained in bulk, hence its bulk properties remain unknown. However, molecular titanium(IV) hydride has been isolated in solid gas matrices. The molecular form is a colourless gas, and very unstable toward thermal decomposition. As such the compound is not well characterised, although many of its properties have been calculated via computational chemistry.

Chromium(I) hydride Chemical compound

Chromium(I) hydride, systematically named chromium hydride, is an inorganic compound with the chemical formula (CrH)
n
. It occurs naturally in some kinds of stars where it has been detected by its spectrum. However, molecular chromium(I) hydride with the formula CrH has been isolated in solid gas matrices. The molecular hydride is very reactive. As such the compound is not well characterised, although many of its properties have been calculated via computational chemistry.

Chromium(II) hydride, systematically named chromium dihydride and poly(dihydridochromium) is pale brown solid inorganic compound with the chemical formula (CrH
2
)
n
. Although it is thermodynamically unstable toward decomposition at ambient temperatures, it is kinetically metastable.

Iron(I) hydride Chemical compound

Iron(I) hydride, systematically named iron hydride and poly(hydridoiron) is a solid inorganic compound with the chemical formula (FeH)
n
. It is both thermodynamically and kinetically unstable toward decomposition at ambient temperature, and as such, little is known about its bulk properties.

Iron(II) hydride, systematically named iron dihydride and poly(dihydridoiron) is solid inorganic compound with the chemical formula (FeH
2
)
n
. ). It is kinetically unstable at ambient temperature, and as such, little is known about its bulk properties. However, it known as a black, amorphous powder, which was synthesised for the first time in 2014.

Trihydridoboron, also known as borane or borine, is an unstable and highly reactive molecule with the chemical formula BH
3
. The preparation of borane carbonyl, BH3(CO), played an important role in exploring the chemistry of boranes, as it indicated the likely existence of the borane molecule. However, the molecular species BH3 is a very strong Lewis acid. Consequently it is highly reactive and can only be observed directly as a continuously produced, transitory, product in a flow system or from the reaction of laser ablated atomic boron with hydrogen.

Magnesium monohydride Chemical compound

Magnesium monohydride is a molecular gas with formula MgH that exists at high temperatures, such as the atmospheres of the Sun and stars. It was originally known as magnesium hydride, although that name is now more commonly used when referring to the similar chemical magnesium dihydride.

Group 14 hydrides are chemical compounds composed of hydrogen atoms and group 14 atoms.

Group 13 hydrides are chemical compounds containing group 13-hydrogen bonds.

Volleyballene

Volleyballene term refers to a chemical compound that is a new type of 3D hollow molecule composed of carbon and transition metals, the name is a reference to fullerenes. It is the first buckyball compound to be spiked with scandium atoms. The main feature of these substances is that metal atoms are part of the framework and they are not deposited on the surface of the molecule. The incorporation of the metal atoms avoids their clustering and confers to volleyballene with sites to attach hydrogen mainly. The history of volleyballenes dates from its first prediction in 2016 by Jing Wang et al. A further study based on Density functional Theory (DFT) carried out by Tlahuice-Flores in the same year supports the prediction and provides with Infrared, Raman and UV spectra of the structure for its experimental detection. The structure is described as one Sc8 cluster holding 12 scandium atoms linked to six C10 units on each face. The chemical formula C60Sc20 is close related to C80 fullerene and it has a large HOMO-LUMO gap of 1.47 eV. Further hydrogenation of volleyballene reported a 70-H structure with an adsorption energy of circa -0.11 eV/H2. Moreover, it is expected that the adsorption-desorption reaction can be reached at ambient temperature. Potential use of volleyballenes is hydrogen storage even at ambient conditions.  

References

  1. 1 2 Wang, Xuefeng; Chertihin, George V.; Andrews, Lester (13 September 2002). "Matrix infrared spectra and DFT calculations of the reactive MHx (x = 1, 2, and 3), (H2)MH2, MH2+, and MH4 (M = Sc, Y, and La) species". The Journal of Physical Chemistry A. 106 (40): 9213–9225. Bibcode:2002JPCA..106.9213W. doi:10.1021/jp026166z.