Tungsten hexafluoride
- Formula: F6W
- Molecular weight: 297.83
- IUPAC Standard InChI: InChI=1S/6FH.W/h6*1H;/q;;;;;;+6/p-6
- IUPAC Standard InChIKey: NXHILIPIEUBEPD-UHFFFAOYSA-H
- CAS Registry Number: 7783-82-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Tungsten fluoride (WF6), (OC-6-11)-; Tungsten fluoride (WF6); Tungsten(VI) fluoride; Tungsten fluoride; UN 2196; WF6
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -411.501 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1967 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 81.475 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1967 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 1000. to 6000. |
|---|---|
| A | 36.03960 |
| B | 1.449870 |
| C | -0.390521 |
| D | 0.033201 |
| E | -0.733301 |
| F | -424.7651 |
| G | 120.5480 |
| H | -411.5000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in March, 1967 |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -417.870 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1967 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 59.565 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1967 |
Liquid Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1000. |
|---|---|
| A | 40.50000 |
| B | 1.122230×10-7 |
| C | -1.409761×10-7 |
| D | 5.954640×10-8 |
| E | 7.989750×10-10 |
| F | -429.9460 |
| G | 108.5760 |
| H | -417.8709 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in March, 1967 |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 6.17 | 316. | Nisel'son, Nikolaev, et al., 1968 | Based on data from 290. to 343. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 201.5 to 290.4 | 4.54998 | 1021.208 | -64.70 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
= (
•
)
By formula: F- + F6W = (F- • F6W)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 69.0 ± 5.0 | kcal/mol | Ther | George and Beauchamp, 1979 | gas phase; Fluoride Affinity: SiF4 < WF6 < BF3 |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 3.36 ± 0.20 | IMRB | Viggiano, Paulson, et al., 1985 | B |
| 3.50 ± 0.10 | IMRB | George and Beauchamp, 1979 | EA: > F-, < Cl-; B |
| >5.10 ± 0.50 | NBIE | Compton, Reinhardt, et al., 1978 | B |
| 3.70 ± 0.20 | NBIE | Dispert and Lacmann, 1977 | B |
| >4.90 ± 0.40 | NBIE | Mathur, Rothe, et al., 1977 | B |
| 2.74061 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| F3W+ | 24.0 ± 0.5 | ? | EI | Hildenbrand, 1975 | LLK |
| F4W+ | 19.5 ± 0.3 | 2F | EI | Hildenbrand, 1975 | LLK |
| F5W+ | 15.24 ± 0.10 | F | EI | Hildenbrand, 1975 | LLK |
Ion clustering data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+
= (
•
)
By formula: F- + F6W = (F- • F6W)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 69.0 ± 5.0 | kcal/mol | Ther | George and Beauchamp, 1979 | gas phase; Fluoride Affinity: SiF4 < WF6 < BF3 |
Mass spectrum (electron ionization)
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | GOODYEAR ATOMIC CORPORATION, PORTSMOUTH, OHIO |
| NIST MS number | 34215 |
Vibrational and/or electronic energy levels
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: Oh Symmetry Number σ = 24
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1g | 1 | Sym str | 771 | B | ia | 771.0 VS p | gas | |||
| eg | 2 | Deg str | 677 | B | ia | 677.2 W dp | gas | |||
| f1u | 3 | Deg str | 712 | C | 712 VS | ia | ||||
| f1u | 4 | Deg deform | 258 | C | 258 S | ia | ||||
| f2g | 5 | Deg deform | 320 | C | ia | 320 W dp | gas | |||
| f2u | 6 | Deg deform | 127 | E | ia | ia | OC(2ν6) | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| W | Weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Nisel'son, Nikolaev, et al., 1968
Nisel'son, L.A.; Nikolaev, R.K.; Sokolova, T.D.; Stolyarov, V.I.; Korolev, Yu.M.,
Izv. Sib. Otd. Akad. Nauk SSSR, Ser. Khim. Nauk, 1968, 109. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
George and Beauchamp, 1979
George, P.M.; Beauchamp, J.L.,
The electron and fluoride affinites of tungsten hexafluoride by ICR spectroscopy,
Chem. Phys., 1979, 36, 345. [all data]
Viggiano, Paulson, et al., 1985
Viggiano, A.A.; Paulson, J.F.; Dale, F.; Henchman, M.; Adams, N.G.; Smith, D.,
Ion chemistry and electon affinity of WF6,
J. Phys. Chem., 1985, 89, 2264. [all data]
Compton, Reinhardt, et al., 1978
Compton, R.N.; Reinhardt, P.W.; Cooper, C.D.,
Collisional ionization between fast alkali atoms and selected hexafluoride molecules,
J. Chem. Phys., 1978, 68, 2023. [all data]
Dispert and Lacmann, 1977
Dispert, H.; Lacmann, K.,
Formation of WF6- and its dissociative products by collisional ionization,
Chem. Phys. Lett., 1977, 45, 311. [all data]
Mathur, Rothe, et al., 1977
Mathur, B.P.; Rothe, R.W.; Reck, G.P.,
Ionization reactions of metal hexafluorides with alkali atoms and dimers,
J. Chem. Phys., 1977, 67, 377. [all data]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]
Hildenbrand, 1975
Hildenbrand, D.L.,
Thermochemistry of the gaseous tungsten fluorides,
Chem. Phys. Lett., 1975, 62, 3074. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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