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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BrF3 by Materials Project

BrF3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of two BrF3 ribbons oriented in the (0, 0, 1) direction. Br is bonded in a rectangular see-saw-like geometry to four F atoms. There are a spread of Br–F bond distances ranging from 1.80–2.20 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Br atom. In the second F site, F is bonded in a bent 150 degrees geometry to two equivalent Br atoms. In the third F site, F is bonded in a single-bond geometry to one Br atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As(BrF2)3 by Materials Project

As(BrF3)2Br is Modderite-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrobromic acid molecules and two As(BrF3)2 clusters. In each As(BrF3)2 cluster, As3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.81 Å. There are two inequivalent Br1+ sites. In the first Br1+ site, Br1+ is bonded in a single-bond geometry to one F1- atom. The Br–F bond length is 2.50 Å. In the second Br1+ site, Br1+ is bonded in a single-bond geometry to one F1- atom. The Br–F bond length is 2.47 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As3+ and one Br1+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As3+ and one Br1+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Effects of sequential treatment with fluorine and bromine on graphite fibers

Three pitch based graphite fibers with different degrees of graphitization and one polyacryonitrile (PAN) based carbon fiber from Amoco Corporation were treated with 1 atm, room temperature fluorine gas for 90 hrs. Fluorination resulted in higher electrical conductivity for all pitch fibers. Further bromination after ambient condition defluorination resulted in further increases in electrical defluorination conductivity for less graphitized, less structurally ordered pitch fibers (P-55) which contain about 3% fluorine by weight before bromination. This product can be stable in 200 C air, or 100% humidity at 60 C. Due to its low cost, this less graphitized fiber may be useful for industrial application, such as airfoil deicer materials. The same bromination process, however, resulted in conductivity decreases for fluorine rich, more graphitized, structurally oriented pitch fibers (P-100 and P-75). Such decreases in electrical conductivity were partially reversed by heating the fibers at 185 C in air. Differential scanning calorimetric (DSC) data indicated that the more graphitized fibers (P-100) contained BrF3, whereas the less graphitized fibers (P-55) did not.

Hung, Ching-Cheh↗