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7784-18-1

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7784-18-1 Usage

General Description

Aluminum fluoride is a chemical compound consisting of aluminum and fluorine. It is a white, crystalline solid that occurs naturally as the mineral rosenbergite. Aluminum fluoride is commonly used as a catalyst in the production of aluminum, as well as in the manufacturing of ceramics, glass, and other industrial applications. It is also utilized in the production of insecticides and as a component in the production of high-performance materials. Additionally, aluminum fluoride has potential uses in the field of medicine and dentistry, mainly as an additive in dental products and as a tracer in positron emission tomography (PET) scans. Overall, aluminum fluoride is a versatile compound with a wide range of industrial and scientific applications.

Check Digit Verification of cas no

The CAS Registry Mumber 7784-18-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,7,8 and 4 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 7784-18:
(6*7)+(5*7)+(4*8)+(3*4)+(2*1)+(1*8)=131
131 % 10 = 1
So 7784-18-1 is a valid CAS Registry Number.
InChI:InChI=1/Al.3FH/h;3*1H/q+3;;;/p-3

7784-18-1 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
  • Packaging
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  • Detail
  • Alfa Aesar

  • (44435)  Aluminum fluoride, anhydrous, 99.99% (metals basis)   

  • 7784-18-1

  • 10g

  • 1001.0CNY

  • Detail
  • Alfa Aesar

  • (44435)  Aluminum fluoride, anhydrous, 99.99% (metals basis)   

  • 7784-18-1

  • 50g

  • 2216.0CNY

  • Detail
  • Alfa Aesar

  • (44435)  Aluminum fluoride, anhydrous, 99.99% (metals basis)   

  • 7784-18-1

  • 250g

  • 9526.0CNY

  • Detail
  • Alfa Aesar

  • (11497)  Aluminum fluoride, anhydrous, 99+%   

  • 7784-18-1

  • 1g

  • 422.0CNY

  • Detail
  • Alfa Aesar

  • (11497)  Aluminum fluoride, anhydrous, 99+%   

  • 7784-18-1

  • 10g

  • 562.0CNY

  • Detail
  • Alfa Aesar

  • (11497)  Aluminum fluoride, anhydrous, 99+%   

  • 7784-18-1

  • 50g

  • 2390.0CNY

  • Detail
  • Alfa Aesar

  • (36335)  Aluminum fluoride, anhydrous, 99.5%   

  • 7784-18-1

  • 5g

  • 740.0CNY

  • Detail
  • Alfa Aesar

  • (36335)  Aluminum fluoride, anhydrous, 99.5%   

  • 7784-18-1

  • 25g

  • 3285.0CNY

  • Detail
  • Alfa Aesar

  • (36335)  Aluminum fluoride, anhydrous, 99.5%   

  • 7784-18-1

  • 100g

  • 11171.0CNY

  • Detail
  • Aldrich

  • (449628)  Aluminumfluoride  anhydrous, powder, ≥99.9% trace metals basis

  • 7784-18-1

  • 449628-10G

  • 1,326.78CNY

  • Detail
  • Aldrich

  • (449628)  Aluminumfluoride  anhydrous, powder, ≥99.9% trace metals basis

  • 7784-18-1

  • 449628-50G

  • 4,937.40CNY

  • Detail
  • Aldrich

  • (752983)  Aluminumfluoride  anhydrous, ≥99.99% trace metals basis

  • 7784-18-1

  • 752983-5G

  • 774.54CNY

  • Detail

7784-18-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name aluminium trifluoride

1.2 Other means of identification

Product number -
Other names Al fluoride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:7784-18-1 SDS

7784-18-1Synthetic route

nitrogen trifluoride
7783-54-2

nitrogen trifluoride

zeolite H-SSZ-32

zeolite H-SSZ-32

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
In neat (no solvent) plasma react. in inductively coupled tubular reactor, temp. of reactor exterior <=180°C, 200 mg of powdered precursor in alumina boat, power of 150-200 W, chamber pressure of 250 mTorr, NF3 flow rate of 10 sccm, reaction time of 10-20 min; X-ray diffraction anal.; EDX anal.; chem. anal.;99%
sodium tetrahydroborate
16940-66-2

sodium tetrahydroborate

aluminium trichloride
7446-70-0

aluminium trichloride

BF3-triglymate

BF3-triglymate

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

B

sodium chloride
7647-14-5

sodium chloride

C

diborane
19287-45-7

diborane

Conditions
ConditionsYield
In further solvent(s) soln. NaBH4 in triglyme was added slowly for 2-3 h at room temp. to BF3-triglyme, AlCl3 in triglyme; B2H6 was absorbed with THF;A n/a
B n/a
C 94%
sodium tetrahydroborate
16940-66-2

sodium tetrahydroborate

aluminium trichloride
7446-70-0

aluminium trichloride

BF3-tetraglymate

BF3-tetraglymate

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

B

sodium chloride
7647-14-5

sodium chloride

C

diborane
19287-45-7

diborane

Conditions
ConditionsYield
In further solvent(s) soln. NaBH4 in triglyme was added slowly for 2-3 h at room temp. to BF3-tetraglyme, AlCl3 in triglyme; B2H6 was absorbed with THF;A n/a
B n/a
C 94%
sodium tetrahydroborate
16940-66-2

sodium tetrahydroborate

sodium tetrafluoroborate
13755-29-8

sodium tetrafluoroborate

aluminium trichloride
7446-70-0

aluminium trichloride

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

B

sodium chloride
7647-14-5

sodium chloride

C

diborane
19287-45-7

diborane

Conditions
ConditionsYield
In further solvent(s) soln. NaBH4 in triglyme (tetraglyme) was added slowly for 2-3 h at roomtemp. to NaBF4 and AlCl3 in triglyme (tetraglyme); B2H6 was absorbed with THF;A n/a
B n/a
C 90%
aluminium trichloride
7446-70-0

aluminium trichloride

boron trifluoride
7637-07-2

boron trifluoride

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

B

boron trichloride
10294-34-5

boron trichloride

Conditions
ConditionsYield
heating with excess of BF3; condensation of BCl3 in an U-tube cooled the mixt. of CO2 and alcohol; fractionated distn.;A n/a
B 80%
heating with excess of BF3; condensation of BCl3 in an U-tube cooled the mixt. of CO2 and alcohol; fractionated distn.;A n/a
B 80%
diethylammonium tetrafluoroborate

diethylammonium tetrafluoroborate

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

B

Diethylaminodifluoroborane
392-73-4

Diethylaminodifluoroborane

Conditions
ConditionsYield
With aluminium In further solvent(s) byproducts: H2; heating at 320-330°C;A n/a
B 72%
With Al In further solvent(s) byproducts: H2; heating at 320-330°C;A n/a
B 72%
stannous fluoride

stannous fluoride

aluminium
7429-90-5

aluminium

A

tin
7440-31-5

tin

B

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
In melt placing of mixt. of Al with SnF2 (molar ratio SnF2:Al=1.65) in Fluoroplast-4 ampule, closing by screwed stopper, exposition for 1.00 h at 250°C; various product ratio yields for various conditions; cooling, stirring up in water, collection, drying;A 1.5%
B n/a
Chlorotrifluoroethylene
79-38-9

Chlorotrifluoroethylene

aluminium
7429-90-5

aluminium

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

B

chlorine
7782-50-5

chlorine

C

pyrographite
7440-44-0

pyrographite

Conditions
ConditionsYield
In neat (no solvent) Ar atmosphere; mixing (mortar and pestle method), heating from room temp. to 1000°C (10 K/min);
aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
With fluorine byproducts: O2; violent;
With hydrogenchloride; calcium fluoride In gas heating in HCl-stream;
With hydrogen fluoride In solid vaporous HF, white heat;>99
aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

trifluoromethan
75-46-7

trifluoromethan

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
byproducts: H2O; from Al2O3 pellets in Ni tube at 720 K for 48 h; fluorination upto 70% F content;
aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

ammonium hydrogen fluoride

ammonium hydrogen fluoride

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
In gaseous matrix mixt. (ratio Al2O3:NH4H2F=1:6) heatin under dry N2 at 473 K for 2 h, 773K for 2 h and finally at 1073 K for 5 h;
aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

fluorine

fluorine

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

B

oxygen

oxygen

Conditions
ConditionsYield
In melt side reaction of Al2O3 in molten cryolite during electrolysis; F is generated by decompn. of AlF3;;
In melt side reaction of Al2O3 in molten cryolite during electrolysis; F is generated by decompn. of AlF3;;
aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

hydrogen fluoride
7664-39-3

hydrogen fluoride

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

B

water
7732-18-5

water

Conditions
ConditionsYield
In neat (no solvent) pyrohydrolysis at 800 K;
aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

hydrogen fluoride
7664-39-3

hydrogen fluoride

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
Kinetics; 400 °C;
400 to 600°C;
at white heat;;
aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

hydrogen fluoride
7664-39-3

hydrogen fluoride

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

corundum

corundum

Conditions
ConditionsYield
in N2 contain moist HF vapor flow;
in N2 contain moist HF vapor flow;
calcium fluoride

calcium fluoride

aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
glowing in carbon crucible; during reaction HCl-gas passed through the vessel;; sublimation of fluoride;;
glowing in carbon crucible; during reaction HCl-gas passed through the vessel;; sublimation of fluoride;;
aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

silicon tetrafluoride
7783-61-1

silicon tetrafluoride

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
In solid
aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

fluorine
7782-41-4

fluorine

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
byproducts: O2; development of heat;
byproducts: O2; development of heat;
In neat (no solvent) F2 and activated Al2O3;;
ammonium fluoride

ammonium fluoride

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
With Al salt In not given
With Al salt In not given
aluminium trinitrate
7784-27-2

aluminium trinitrate

ammonium fluoride

ammonium fluoride

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
In water Al(NO3)3 and NH4F dissolved in water; Li(Ni0.33Co0.33Mn0.34)O2 powder immersed in soln. of Al(NO3)3; NH4F added slowly to soln.; stirred at 80°C for 5 h; filtered with water; (N2) heated at 400°C for 5 h;
In water NH4F and Al(NO3)3 dissolved in water; Li(Li0.2Mn0.54Ni0.13Co0.13)O2 powder added to soln. of Al(NO3)3; slowly added NH4F; soln. stirred at 80°C for 5 h; evapd.; heated at 400°C for 5 h under N2; XRD;
sodium fluoride

sodium fluoride

aluminium
7429-90-5

aluminium

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

B

aluminum(I) fluoride

aluminum(I) fluoride

aluminum(III) sulphate octadecahydrate

aluminum(III) sulphate octadecahydrate

hydrogen fluoride
7664-39-3

hydrogen fluoride

A

aluminum(III) sulfate

aluminum(III) sulfate

B

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
470°C;
aluminium carbide
1299-86-1

aluminium carbide

fluorine
7782-41-4

fluorine

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
warming in F2 flow;
warming in F2 flow;
chlorine trifluoride
7790-91-2

chlorine trifluoride

aluminium oxide

aluminium oxide

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
In neat (no solvent) uncomplete reaction at 100°C;;
aluminium trichloride
7446-70-0

aluminium trichloride

{Ph3PhCH2P}{H2F3}

{Ph3PhCH2P}{H2F3}

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

B

AlClF3(1-)
108528-94-5

AlClF3(1-)

C

AlCl2F2(1-)
109144-15-2

AlCl2F2(1-)

D

AlCl3F(1-)
109144-16-3

AlCl3F(1-)

E

tetrachloroaluminate(1-)

tetrachloroaluminate(1-)

Conditions
ConditionsYield
In dichloromethane H2F3(1-)/AlCl3 ratio of 3:1; 25°C.; final ppt.: AlF3; 27Al-NMR;
cryolite

cryolite

boron trifluoride
7637-07-2

boron trifluoride

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
In hydrogen fluoride HF (liquid);
aluminium oxide

aluminium oxide

trifluoromethan
75-46-7

trifluoromethan

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
In neat (no solvent) Kinetics; byproducts: CO, H2O; react. of Al2O3 with 40% HCF3/He (500 cm**3/min, 101 Pa) at 773 K (alsoat 723 and 823 K) for 5 h in a quartz tube furnace; progress of react. followed by monitoring the H2O evolution, detn. of AlF3 percentage in the product;
fluorosilicic acid

fluorosilicic acid

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

Conditions
ConditionsYield
With kaolin byproducts: SiO2; above 95 °C;
With kaolin byproducts: SiO2; above 95 °C;
potassium hexafluorosilicate

potassium hexafluorosilicate

aluminium
7429-90-5

aluminium

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

B

silicon
7440-21-3

silicon

Conditions
ConditionsYield
In neat (no solvent) byproducts: KF; with Al-powder at red heat;;
aluminum(I) fluoride

aluminum(I) fluoride

nickel
7440-02-0

nickel

A

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

B

aluminium
7429-90-5

aluminium

Conditions
ConditionsYield
In melt 1000°C;
In melt 1000°C;
aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

tetrafluoro-1κ(2)F,2κ(2)F-bis[μ-sulfurdiimidato(2-)-1κN,2κN']ditellurium(IV)
402921-92-0

tetrafluoro-1κ(2)F,2κ(2)F-bis[μ-sulfurdiimidato(2-)-1κN,2κN']ditellurium(IV)

F2Te(NSN)2TeF(1+)*AlF4(1-)=F2Te(NSN)2TeF[AlF4]
429656-94-0

F2Te(NSN)2TeF(1+)*AlF4(1-)=F2Te(NSN)2TeF[AlF4]

Conditions
ConditionsYield
In dichloromethane 1 equiv. of AlF3 and Te-compd. were suspended in CH2Cl2, stirred at 60 .°C for 10 d; ppt. was washed ten times with CH2Cl2, volatioles were removed in vac., dried at 20 °C for 12 h in vac., elem. anal.;90%
aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

sodium fluoride

sodium fluoride

chiolite

chiolite

Conditions
ConditionsYield
With ZnCl2; NaCl In melt outgassed mixt. heating to 700°C (argon atmosphere, 15 h), temp. decrease (5°C/h) to 410°C, crystn. on allowing mixt. to cool; crysts. sepn. (flux dissoln. in water);85%
pyridine
110-86-1

pyridine

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

N,N'-dilithio-1,1'-bis(trimethylsilylamino)ferrocene

N,N'-dilithio-1,1'-bis(trimethylsilylamino)ferrocene

A

1,1′-bis(trimethylsilylamino)ferrocene
337456-24-3

1,1′-bis(trimethylsilylamino)ferrocene

B

1,3-bis(trimethylsilyl)-2-fluoro-2-pyridine-1,3,2-diazaalumina-[3]ferrocenophane
952208-07-0

1,3-bis(trimethylsilyl)-2-fluoro-2-pyridine-1,3,2-diazaalumina-[3]ferrocenophane

C

N,N'-dilithio-1,1'-bis(trimethylsilylamino)ferrocene*2(pyridine)

N,N'-dilithio-1,1'-bis(trimethylsilylamino)ferrocene*2(pyridine)

Conditions
ConditionsYield
In toluene (Ar); freshly prepared Fc(NSiMe3)2Li2 taken up in toluene; the soln. cooled to -78°C; AlF3 and pyridine added; stirring for 1 h at -78°C then at ambient temp. for 14 h;A 70%
B 0%
C 30%
aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

aluminium carbide
1299-86-1

aluminium carbide

aluminium
7429-90-5

aluminium

Conditions
ConditionsYield
With calcium fluoride In neat (no solvent) byproducts: CO; addition of AlF3 and CaF2 to Al4C3 and Al2O3 and heating;;
With calcium fluoride In neat (no solvent) byproducts: CO; addition of AlF3 and CaF2 to Al4C3 and Al2O3 and heating;;
aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

aluminium
7429-90-5

aluminium

Conditions
ConditionsYield
With sodium fluoride In melt Electrochem. Process; electrodeposition (824-902°C, tungsten electrode); voltammetric and chronopotentiometric monitoring;
In melt Electrolysis; 1/3 NaF, 1/3 AlF3, 1/3 Al2O3; coal crucible; light red heat, 7-10 V, 300-400 A, current density of anode: 10A/(cm*cm), current yield: 43.6-54.3%;;
boron trioxide

boron trioxide

aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

A

fluoroboroxine
13703-95-2

fluoroboroxine

B

boron trifluoride
7637-07-2

boron trifluoride

Conditions
ConditionsYield
byproducts: Al2O3; 800°C;
aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

lanthanum oxofluoride

lanthanum oxofluoride

lanthanum(III) fluoride
13709-38-1

lanthanum(III) fluoride

Conditions
ConditionsYield
In neat (no solvent) on heating;; polycryst. product;;
In neat (no solvent)
aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

water
7732-18-5

water

aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

Conditions
ConditionsYield
in graphite tube; both gases were introduced into the reactor; diluted by Ar; temp. 710-820°C;
aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

water
7732-18-5

water

A

aluminum oxide
1333-84-2, 1344-28-1

aluminum oxide

B

hydrogen fluoride
7664-39-3

hydrogen fluoride

Conditions
ConditionsYield
In neat (no solvent) pyrohydrolysis at 800 K;
aluminum(III) fluoride
7784-18-1

aluminum(III) fluoride

water
7732-18-5

water

A

aluminum trihydroxide

aluminum trihydroxide

B

hydrogen fluoride
7664-39-3

hydrogen fluoride

Conditions
ConditionsYield
In neat (no solvent) pyrohydrolysis at 800 K;

7784-18-1Relevant articles and documents

Electron-beam induced crystallization transition in self-developing amorphous AIF3 resists

Chen,Boothroyd,Humphreys

, p. 170 - 172 (1996)

Transmission electron microscopy is used to investigate electron-induced crystallization of thermally evaporated amorphous AlF3(α-AlF3). It is shown that this material undergoes a very complicated crystallization process with three crystalline substances (Al, AlF3, and Al2O3) formed as the dose increases. The sequence of the crystallization is highly sensitive to the presence of water, which inhibits radiolytic dissociation of α-AlF3 into Al and fluorine, reduces the dose required for the crystallization of α-AlF3, and causes the transformation of AlF3 into Al2O3.

Characterization of four phase transitions in Pb5Al3F19, including a new transition at 670 K, by impedance and NMR spectroscopy

El Omari,Reau,Senegas,Ravez,Abrahams,Nadiri,Yacoubi

, p. 2896 - 2902 (1998)

X-ray diffraction, thermal, optical, and dielectric studies of Pb5Al3F19 undertaken previously between 100 and 400 K showed this material undergoes three phase transitions. The four known phases are ferroelectric phase V, with a transition to antiferroelectric phase IV at 270 K on heating, 140 K on cooling. The transition from phase IV to ferroelastic phase III is at 320 K on heating, 305 K on cooling; that from phase III to paraelastic phase II is at 360 K without thermal hysteresis. Impedance and NMR spectroscopy in the complementary temperature ranges 279-743 and 125-430 K characterized the influence of these phases on the ionic conductivity and F- ion diffusion properties in this material.

Reactivity of fluorinated γ-alumina and β-aluminium(III) fluoride surfaces towards hydrogen halides and tert-butyl chloride

Barclay, Christopher H.,Bozorgzadeh, Hamid,Kemnitz, Erhard,Nickkho-Amiry, Mahmood,Ross, Debbie E.M.,Skapin, Tomaz,Thomson, James,Webb, Geoffrey,Winfield, John M.

, p. 40 - 47 (2002)

The Lewis acids β-aluminium(III) fluoride and γ-alumina, fluorinated at room temperature with sulfur, tetrafluoride, both interact with hydrogen fluoride and chloride, as demonstrated by radiotracer measurements using [18F] and [36Cl

Zeolite catalysts for Halon conversion

Howe,Lee,Thomson,Kennedy,Yang,Dlugogorski

, p. 63 - 72 (2002)

The chemical states of Al and Ni in NiZSM-5 catalyst used for the pyrolysis and hydrodehalogenation with methane of Halon 1301 (CF3Br) were characterized using Al and Ni K-edge XANES and EXAFS experiments. Reaction products were CF4

Vibrational analysis study of aluminum trifluoride phases

Gross, Udo,Ruediger, Stephan,Kemnitz, Erhard,Brzezinka, Klaus-Werner,Mukhopadhyay, Sanghamitra,Bailey, Christine,Wander, Adrian,Harrison, Nicholas

, p. 5813 - 5819 (2007)

The vibrational modes of three solid AlF3 phases (α, β, and amorphous high surface area AlF3) are investigated. Calculations have been performed using hybrid exchange correlation functionals to determine the equilibrium geometries an

The effects of AlF3 coating on the performance of Li[Li 0.2 Mn0.54 Ni0.13 Co0.13]O 2 positive electrode material for lithium-ion battery

Zheng,Zhang,Wu,Dong,Zhu,Yang

, p. A775-A782 (2008)

Al F3 -coated Li [Li0.2 Mn0.54 Ni0.13 Co0.13] O2 materials have been synthesized as positive electrode materials for lithium-ion batteries. The pristine and Al F3 -coated Li [Li0.2 Mn0.54 Ni0.13 Co0.13] O2 materials were characterized by X-ray diffraction

AlF3-coating to improve high voltage cycling performance of Li[Ni1/3Co1/3Mn1/3]O2 cathode materials for lithium secondary batteries

Sun,Cho,Lee,Yoon,Amine

, p. A168-A172 (2007)

Li [Ni13 Co13 Mn13] O2 powders were modified by coating their surface with amorphous AlF3 as a new coating material. The AlF3 -coated Li [Ni13 Co13 Mn13] O2 electrode showed improved cycle performance and rate capability under a high cutoff voltage range of 4.5 and 4.6 V. AC impedance results showed that the AlF3 -coated Li [Ni13 Co13 Mn13] O2 has stable charge transfer resistance (Rct) regardless of the cycle number. Electron diffraction analysis also showed that no structural transition of the primary particles was observed for the AlF3 -coated electrode. Electrochemical impedance spectroscopy and electron microscopy indicate that AlF3 coating plays an important role of stabilizing the interface between cathode and electrolyte.

Investigation of the systems KAlF4-M3AlF6 (M=Rb, Cs)

Chen,Zhang

, p. 117 - 120 (2000)

Phase relations in the systems KAlF4-Rb3AlF6 and KAlF4-Cs3AlF6 were investigated by DTA and XRD methods for the purpose of finding a low melting, non-corrosive aluminum flux. In each system, congruent compounds Rb3AlF6·2KAlF4 and 2Cs3AlF6·3KAlF4 were observed, respectively. Eutectics located at 46 mol% Rb3AlF6 and 511°C, 25 mol% Rb3AlF6 and 512°C for the former system, and 48 mol% Cs3AlF6 and 550°C, 25 mol% Cs3AlF6 and 480°C in the latter were confirmed. The phase α-2Cs3AlF6·3KAlF4 was XRD indexed as having an orthorhombic cell a=10.401±0.003, b=10.078±0.006, c=8.792±0.006 A?. (C) 2000 Elsevier Science B.V.

Tossing and turning: Guests in the flexible frameworks of metal(III) dicarboxylates

Vougo-Zanda, Marie,Huang, Jin,Anokhina, Ekaterina,Wang, Xiqu,Jacobson, Allan J.

, p. 11535 - 11542 (2008)

Single crystals of Ga(OH)(C8H4O4) ·0.74C8H6O4 (2) and Ga(OH,F)(C 8H4O4)·0.74C8H 6O4 (3) were obtained under hydrothermal conditions. The structures of 2 and 3 have the same topological framework as the previously reported aluminum 1,4-benzenedicarboxylate (BDC), Al(OH)(C8H 4O4)·0.7C8H6O4 (1). The frameworks are built by interconnecting M-OH-M chains (M = Al, Ga) with BDC anions to form large diamond-shaped one-dimensional channels filled with additional H2BDC guest molecules occupying disordered positions in the channels. Upon removal of H2BDC, other guest molecules such as H2O and pyridine can be inserted. In this work, we present a study of the intercalation of aromatic guests (BDC and pyridine) into frameworks of 1-3 by liquid and vapor diffusion into the empty channels of 1 and by single-crystal-to-single-crystal solvothermal guest exchange for 2 and 3. In the case of Al(OH)BDC and Ga(OH,F)BDC, two interconvertible, guest-concentration- dependent phases with different orientations of the pyridine guests have been observed, while only one pyridine orientation is found in Ga(OH)BDC.

Structural insights into aluminum chlorofluoride (ACF)

Krahl, Thoralf,Stoesser, Reinhard,Kemnitz, Erhard,Scholz, Gudrun,Feist, Michael,Silly, Gilles,Buzare, Jean-Yves

, p. 6474 - 6483 (2003)

The structure of the very strong solid Lewis acid aluminum chlorofluoride (ACF, AlClxF3-x = 0.05-0.3) was studied by IR, ESR, Cl K XANES, 19F MAS NMR, and 27Al SATRAS NMR spectroscopic methods and compared with amorphous aluminum fluoride conventionally prepared by dehydration of α-AlF3·3H2O. The thermal behavior of both compounds was investigated by DTA and XRD. In comparison to ACF, amorphous AlF3 prepared in a conventional way is not catalytically active for the isomerization reaction of 1,2-dibromohexafluoropropane, which requires a very strong Lewis acid. Both compounds are mainly built up of corner-sharing AlF6 octahedra forming a random network. The degree of disorder in ACF is higher than in amorphous AlF3. Terminal fluorine atoms were detected in ACF by 19F NMR. The chlorine in ACF does not exist as a separate, crystalline AlCl3 phase. Additionally, chlorine-containing radicals, remaining from the synthesis, are trapped in cavities of ACF. These radicals are stable at room temperature but do not take part in the catalytic reaction.

Pitton, O.,Jorgensen, C. K.,Berthou, H.

, p. 357 - 361 (1976)

Hypothetical AlF3 crystal structures

Le Bail, Armel,Calvayrac, Florent

, p. 3159 - 3166 (2006)

Applying a structure prediction computer programme (GRINSP=Geometrically Restrained INorganic Structure Prediction), the occurrence of 6-connected 3D networks was investigated, through AlF6 octahedra exclusive corner sharing. The five known AlF3 varieties were reproduced (α-, β-, η-, κ- and τ-AlF3) and seven hypothetical models were predicted. Among these still to be synthesized AlF3 phases, one can recognize two known structure types (TlCa2Ta5O15, Ba4CoTa10O30) and some easy to imagine intergrowths; however, a few others are completely unexpected, though simple. A comparison of the ab initio total energies of all the structures is provided, leading to the conclusion that the virtual models could well be viable.

Infrared Surface Characterization of AlF3

Morterra, C.,Cerrato, G.,Cuzzato, P.,Masiero, A.,Padovan, M.

, p. 2239 - 2250 (1992)

Three specimens of crystalline AlF3, coming from different preparation routes, have been examined: no major differences were found in the spectral region of the (ν3) fundamental mode, whereas the preparation process was observed to introduce appreciable differences in the background spectra that were ascribed to different bulk and surface impurities.Oxidic islands exist both in the bulk and at the surface of all preparations and when AlF3 is derived from non-oxygen-containing precursors.In the latter case, species containing NHx moieties exist, both in the bulk and at the surface.The surface hydrated layer of AlF3 is made up of an extensive 'regular' component (i.e. a large amount of undissociated water molecules, coordinated to unsaturated surface AlVI cations), and not an 'anomalous' component (i.e. some OH groups that are eliminated upon vacuum activation at relatively low temperatures).The adsorption of pyridine on samples activated by vacuum treatment at temperatures in the range 300-673 K indicates that on all specimens there are variable amounts of 'irregular' surface cations , some of which are strong enough as Lewis-acidic centres to adsorb CO at ambient temperature.Coordinatively unsaturated surface Al ions with the 'regular' octahedral coordination are very weakly acidic, as revealed by the end-on adsorption of CO2 at 300 K and by CO uptake at ca. 78 K.

SMARTER crystallography of the fluorinated inorganic-organic compound Zn3Al2F12·[HAmTAZ]6

Martineau, Charlotte,Cadiau, Amandine,Bouchevreau, Boris,Senker, Juergen,Taulelle, Francis,Adil, Karim

, p. 6232 - 6241 (2012/06/15)

We present in this paper the structure resolution of a fluorinated inorganic-organic compound - Zn3Al2F12· [HAmTAZ]6 - by SMARTER crystallography, i.e. by combining powder X-ray diffraction crystallography, NMR crystallography and chemical modelling of crystal (structure optimization and NMR parameter calculations). Such an approach is of particular interest for this class of fluorinated inorganic-organic compound materials since all the atoms have NMR accessible isotopes (1H, 13C, 15N, 19F, 27Al, 67Zn). In Zn3Al2F 12·[HAmTAZ]6, 27Al and high-field 19F and 67Zn NMR give access to the inorganic framework while 1H, 13C and 15N NMR yield insights into the organic linkers. From these NMR experiments, parts of the integrant unit are determined and used as input data for the search of a structural model from the powder diffraction data. The optimization of the atomic positions and the calculations of NMR parameters (27Al and 67Zn quadrupolar parameters and 19F, 1H, 13C and 15N isotropic chemical shifts) are then performed using a density functional theory (DFT) based code. The good agreement between experimental and DFT-calculated NMR parameters validates the proposed optimized structure. The example of Zn 3Al2F12·[HAmTAZ]6 shows that structural models can be obtained in fluorinated hybrids by SMARTER crystallography on a polycrystalline powder with an accuracy similar to those obtained from single-crystal X-ray diffraction data.

Highly selective metal fluoride catalysts for the dehydrohalogenation of 3-chloro-1,1,1,3-tetrafluorobutane

Teinz, Katharina,Wuttke, Stefan,Boerno, Fabian,Eicher, Johannes,Kemnitz, Erhard

, p. 175 - 182 (2011/10/18)

For the first time, dehydrochlorination and dehydrofluorination reactions are studied on the same substrate, 3-chloro-1,1,1,3-tetrafluorobutane, employing nanoscopic metal fluorides AlF3, MgF2, CaF2, SrF2, and BaF2 as catalysts that are prepared according the fluorolytic sol-gel synthesis. AlF3 is exclusively selective toward dehydrofluorination, whereas BaF2 is 100% selective toward dehydrochlorination. The acid-base character of the catalysts is investigated and, as a result, mechanistic proposals for the dehydrofluorination and the dehydrochlorination are given. Thus, at high conversion level, selective catalysts for both dehydrofluorination and dehydrochlorination on the same substrate have been developed.

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