Barium Fluoride
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Barium fluoride is an
inorganic compound An inorganic compound is typically a chemical compound that lacks carbon–hydrogen bonds⁠that is, a compound that is not an organic compound. The study of inorganic compounds is a subfield of chemistry known as ''inorganic chemistry''. Inorgan ...
with the formula . It is a colorless solid that occurs in nature as the rare mineral frankdicksonite. Under standard conditions it adopts the
fluorite Fluorite (also called fluorspar) is the mineral form of calcium fluoride, CaF2. It belongs to the halide minerals. It crystallizes in isometric cubic habit, although octahedral and more complex isometric forms are not uncommon. The Mohs scal ...
structure and at high pressure the structure. Like , it is resilient to and insoluble in water. Above ca. 500 °C, is corroded by moisture, but in dry environments it can be used up to 800 °C. Prolonged exposure to moisture degrades transmission in the vacuum UV range. It is less resistant to water than
calcium fluoride Calcium fluoride is the inorganic compound of the elements calcium and fluorine with the formula CaF2. It is a white solid that is practically insoluble in water. It occurs as the mineral fluorite (also called fluorspar), which is often deeply col ...
, but it is the most resistant of all the optical fluorides to high-energy radiation, though its far ultraviolet transmittance is lower than that of the other fluorides. It is quite hard, very sensitive to
thermal shock Thermal shock is a phenomenon characterized by a rapid change in temperature that results in a transient mechanical load on an object. The load is caused by the differential expansion of different parts of the object due to the temperature chang ...
and fractures quite easily.


Optical properties

Barium fluoride is transparent from the
ultraviolet Ultraviolet radiation, also known as simply UV, is electromagnetic radiation of wavelengths of 10–400 nanometers, shorter than that of visible light, but longer than X-rays. UV radiation is present in sunlight and constitutes about 10% of ...
to the
infrared Infrared (IR; sometimes called infrared light) is electromagnetic radiation (EMR) with wavelengths longer than that of visible light but shorter than microwaves. The infrared spectral band begins with the waves that are just longer than those ...
, from 150 to 200 nm to 11–11.5 μm. It is used in windows for
infrared spectroscopy Infrared spectroscopy (IR spectroscopy or vibrational spectroscopy) is the measurement of the interaction of infrared radiation with matter by absorption, emission, or reflection. It is used to study and identify chemical substances or functio ...
, in particular in the field of fuel oil analysis. Its
transmittance Electromagnetic radiation can be affected in several ways by the medium in which it propagates.  It can be Scattering, scattered, Absorption (electromagnetic radiation), absorbed, and Fresnel equations, reflected and refracted at discontinui ...
at 200 nm is relatively low (0.60), but at 500 nm it goes up to 0.96–0.97 and stays at that level until 9 μm, then it starts falling off (0.85 for 10 μm and 0.42 for 12 μm). The refractive index is about 1.46 from 700 nm to 5 μm. Barium fluoride is also a common, very fast (one of the fastest)
scintillator A scintillator ( ) is a material that exhibits scintillation, the property of luminescence, when excited by ionizing radiation. Luminescent materials, when struck by an incoming particle, absorb its energy and scintillate (i.e. re-emit the ab ...
s for the detection of
X-ray An X-ray (also known in many languages as Röntgen radiation) is a form of high-energy electromagnetic radiation with a wavelength shorter than those of ultraviolet rays and longer than those of gamma rays. Roughly, X-rays have a wavelength ran ...
s,
gamma ray A gamma ray, also known as gamma radiation (symbol ), is a penetrating form of electromagnetic radiation arising from high energy interactions like the radioactive decay of atomic nuclei or astronomical events like solar flares. It consists o ...
s or other high energy particles. One of its applications is the detection of 511
keV In physics, an electronvolt (symbol eV), also written electron-volt and electron volt, is the measure of an amount of kinetic energy gained by a single electron accelerating through an electric potential difference of one volt in vacuum. When us ...
gamma photons in
positron emission tomography Positron emission tomography (PET) is a functional imaging technique that uses radioactive substances known as radiotracers to visualize and measure changes in metabolic processes, and in other physiological activities including blood flow, r ...
. It responds also to alpha and beta particles, but, unlike most scintillators, it does not emit ultraviolet light. It can be also used for detection of high-energy (10–150 MeV)
neutron The neutron is a subatomic particle, symbol or , that has no electric charge, and a mass slightly greater than that of a proton. The Discovery of the neutron, neutron was discovered by James Chadwick in 1932, leading to the discovery of nucle ...
s, using pulse shape discrimination techniques to separate them from simultaneously occurring gamma photons. Barium fluoride is used as a preopacifying agent and in enamel and glazing frits production. Its other use is in the production of
welding Welding is a fabrication (metal), fabrication process that joins materials, usually metals or thermoplastics, primarily by using high temperature to melting, melt the parts together and allow them to cool, causing Fusion welding, fusion. Co ...
agents (an additive to some fluxes, a component of coatings for welding rods and in welding powders). It is also used in
metallurgy Metallurgy is a domain of materials science and engineering that studies the physical and chemical behavior of metallic elements, their inter-metallic compounds, and their mixtures, which are known as alloys. Metallurgy encompasses both the ...
, as a molten bath for refining
aluminium Aluminium (or aluminum in North American English) is a chemical element; it has chemical symbol, symbol Al and atomic number 13. It has a density lower than that of other common metals, about one-third that of steel. Aluminium has ...
.


Gas phase structure

In the vapor phase the molecule is non-linear with an F-Ba-F angle of approximately 108°. Its nonlinearity violates
VSEPR theory Valence shell electron pair repulsion (VSEPR) theory ( , ) is a conceptual model, model used in chemistry to predict the geometry of individual molecules from the number of electron pairs surrounding their central atoms. It is also named the Gill ...
. Ab initio calculations indicate that contributions from d orbitals in the shell below the valence shell are responsible. Another proposal is that polarisation of the electron core of the barium atom creates an approximately tetrahedral distribution of charge that interacts with the Ba-F bonds.


References


Cited sources

*


External links


MSDS at Oxford University
{{DEFAULTSORT:Barium Fluoride Barium compounds Fluorides Optical materials Phosphors and scintillators Crystals Alkaline earth metal halides Fluorite crystal structure