Monosulfur monofluoride
- Formula: FS
- Molecular weight: 51.063
- IUPAC Standard InChI: InChI=1S/FS/c1-2
- IUPAC Standard InChIKey: YNAAFGQNGMFIHH-UHFFFAOYSA-N
- CAS Registry Number: 16068-96-5
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References, Notes
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 | 3.100 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1976 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 53.841 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1976 |
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) | 298. to 6000. |
|---|---|
| A | 8.846590 |
| B | 0.175506 |
| C | -0.033059 |
| D | 0.004187 |
| E | -0.044934 |
| F | 0.304110 |
| G | 64.24180 |
| H | 3.099910 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1976 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to FS+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 10.1 ± 0.2 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.2850 ± 0.0060 | LPES | Polak, Gilles, et al., 1992 | B |
| >4.10 ± 0.50 | Endo | Langford, Almeida, et al., 1990 | B |
| 2.00 ± 0.50 | N/A | Chase Jr., Curnutt, et al., 1982 | From trends in EA SFx; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.16 ± 0.17 | END | Fischer, Kickel, et al., 1992 | LL |
| 10.09 | PI | Losking and Willner, 1985 | LBLHLM |
| 10.2 ± 0.3 | EI | Hildenbrand, 1976 | LLK |
| 10.0 | EI | Hildenbrand, 1975 | LLK |
| 10.0 ± 0.3 | EI | Hildenbrand, 1975, 2 | LLK |
| 10.09 ± 0.10 | EI | Hildenbrand, 1973 | LLK |
| ~14. | EI | DiLonardo and Trombetti, 1970 | RDSH |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Klaus P. Huber and Gerhard H. Herzberg
Data collected through July, 1977
| Symbol | Meaning |
|---|---|
| State | electronic state and / or symmetry symbol |
| Te | minimum electronic energy (cm-1) |
| ωe | vibrational constant – first term (cm-1) |
| ωexe | vibrational constant – second term (cm-1) |
| ωeye | vibrational constant – third term (cm-1) |
| Be | rotational constant in equilibrium position (cm-1) |
| αe | rotational constant – first term (cm-1) |
| γe | rotation-vibration interaction constant (cm-1) |
| De | centrifugal distortion constant (cm-1) |
| βe | rotational constant – first term, centrifugal force (cm-1) |
| re | internuclear distance (Å) |
| Trans. | observed transition(s) corresponding to electronic state |
| ν00 | position of 0-0 band (units noted in table) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A2 2Π1/2 | 483 1 H | 2.6 1 | A2 ← X2 R | 25205 H | ||||||||
| ↳DiLonardo and Trombetti, 1970 | ||||||||||||
| 483 1 H | 2.6 1 | A2 ← X1 R | 25606 H | |||||||||
| ↳DiLonardo and Trombetti, 1970 | ||||||||||||
| A1 2Π3/2 | 488 H | 3.1 | (0.554) 2 | 0.004 | (1.598) | A1 ← X1 R | ||||||
| ↳missing citation | ||||||||||||
| X2 2Π1/2 | (401) 3 | |||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| X1 2Π3/2 | 0 | [0.5521740] | 1.600574 4 | |||||||||
| ↳Amano and Hirota, 1973 | ||||||||||||
| ESR sp. | ||||||||||||
| ↳Carrington, Currie, et al., 1969; Byfleet, Carrington, et al., 1971 | ||||||||||||
Notes
| 1 | From the A2 ← X2 progression; slightly different numbers are obtained from A2 ← X1. The assignements of both progressions are tentative. |
| 2 | Only B3 = 0.540 and B5 = 0.532 have been measured. Individual rotational lines are diffuse for v'≥ 3. Bands with v' ≥ 7 are very diffuse. |
| 3 | Based on the assignments of progressions A2 ← X2 and A2 ← X1; from the ESR spectrum Carrington, Currie, et al., 1969 derive A0 = -387 ± 25 Carrington, Currie, et al., 1969. |
| 4 | Microwave sp. 6 |
| 5 | From the predissociation in the A1 ← X1 bands; see 2. |
| 6 | μel(v=0) = 0.794 D Amano and Hirota, 1973; Byfleet, Carrington, et al., 1971 obtain μel(v=0)= 0.87 D Byfleet, Carrington, et al., 1971. Hfs parameter a + 1/2(b+c) = 428.60 MHz Carrington, Currie, et al., 1969, Amano and Hirota, 1973. |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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]
Polak, Gilles, et al., 1992
Polak, M.L.; Gilles, M.K.; Lineberger, W.C.,
Photoelectron Spectroscopy of SF-,
J. Chem. Phys., 1992, 96, 9, 7191, https://doi.org/10.1063/1.462526
. [all data]
Langford, Almeida, et al., 1990
Langford, M.L.; Almeida, D.P.; Harris, F.M.,
Measurements of single ionization energies or electron affinities of SFn molecules (n = 1-5) using double-charge-transfer spectroscopy,
Int. J. Mass Spectrom. Ion Processes, 1990, 98, 147. [all data]
Chase Jr., Curnutt, et al., 1982
Chase Jr.; Curnutt, J.L.; Downy Jr.; McDonald, R.A.; Syverrud, A.N.; Valenzuela, E.A.,
JANAF Thermochemical Tables 1982 Supplement,
J. Phys. Chem. Ref. Data, 1982, 11, 3, 695, https://doi.org/10.1063/1.555666
. [all data]
Fischer, Kickel, et al., 1992
Fischer, E.R.; Kickel, B.L.; Armentrout, P.B.,
Collision-induced dissociation and charge transfer reactions of SFx+ (x = 1-5_): Thermochemistry of sulfur fluoride ions and neutrals,
J. Chem. Phys., 1992, 97, 4859. [all data]
Losking and Willner, 1985
Losking, O.; Willner, H.,
Thermochemische daten und photoionisation-massenspektren von SSF2, FSSF, SF3SF und SF3SSF,
Z. Anorg. Allg. Chem., 1985, 530, 169. [all data]
Hildenbrand, 1976
Hildenbrand, D.L.,
Thermochemical studies of the gaseous lower valent fluorides of molybdenum,
J. Chem. Phys., 1976, 65, 614. [all data]
Hildenbrand, 1975
Hildenbrand, D.L.,
Dissociation energy and ionization potential of the molecule CF,
Chem. Phys. Lett., 1975, 32, 523. [all data]
Hildenbrand, 1975, 2
Hildenbrand, D.L.,
Thermochemistry of the gaseous tungsten fluorides,
Chem. Phys. Lett., 1975, 62, 3074. [all data]
Hildenbrand, 1973
Hildenbrand, D.L.,
Mass spectrometric studies of some gaseous sulfur fluorides,
J. Phys. Chem., 1973, 77, 897. [all data]
DiLonardo and Trombetti, 1970
DiLonardo, G.; Trombetti, A.,
Spectrum of SF,
J. Chem. Soc. Faraday Trans., 1970, 66, 2694. [all data]
Amano and Hirota, 1973
Amano, T.; Hirota, E.,
Microwave spectrum of the SF radical,
J. Mol. Spectrosc., 1973, 45, 417. [all data]
Carrington, Currie, et al., 1969
Carrington, A.; Currie, G.N.; Miller, T.A.,
Gas-phase electron resonance spectra of SF and SeF,
J. Chem. Phys., 1969, 50, 2726. [all data]
Byfleet, Carrington, et al., 1971
Byfleet, C.R.; Carrington, A.; Russell, D.K.,
Electric dipole moments of open-shell diatomic molecules,
Mol. Phys., 1971, 20, 271. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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