silicon fluoride
- Formula: FSi
- Molecular weight: 47.0839
- IUPAC Standard InChIKey: ZHPNWZCWUUJAJC-UHFFFAOYSA-N
- CAS Registry Number: 11128-24-8
- 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: Silylidyne, fluoro-
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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 | -4.799 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1976 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 53.951 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 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 | 8.458571 |
B | 0.515452 |
C | -0.131606 |
D | 0.013661 |
E | -0.076078 |
F | -7.598500 |
G | 63.61150 |
H | -4.799960 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 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 compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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 FSi+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.810 ± 0.020 | LPES | Kawamata, Neigishi, et al., 1996 | Vertical Detachment Energy: 0.81±0.05 eV.; B |
>1.14009 | IMRB | Reents, Mandich, et al., 1986 | Si- + WF6 -> SiF- + WF5; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.54 ± 0.16 | END | Weber and Armentrout, 1988 | LL |
7.28 | EVAL | Huber and Herzberg, 1979 | LLK |
7.26 | S | Johns and Barrow, 1958 | 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 September, 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
Theoretical studies of low-lying valence states Bialski and Grein, 1976. | ||||||||||||
I | [52834] | I → X V | 52325 1 H | |||||||||
↳Johns and Barrow, 1958 | ||||||||||||
I → X V | 52489 1 H | |||||||||||
↳Johns and Barrow, 1958 | ||||||||||||
H (2Σ+) | (52095) | [1022] H | H → X V | 52098 1 H | ||||||||
↳Johns and Barrow, 1958 | ||||||||||||
H → X V | 52260 1 H | |||||||||||
↳Johns and Barrow, 1958 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
(G) | (51941) | [1008] H | (G → X) V | 51938 1 H | ||||||||
↳Johns and Barrow, 1958 | ||||||||||||
(G → X) V | 52098 1 H | |||||||||||
↳Johns and Barrow, 1958 | ||||||||||||
F | [52195] | F → X V | 51685 1 H | |||||||||
↳Johns and Barrow, 1958 | ||||||||||||
F → X V | 51851 1 H | |||||||||||
↳Johns and Barrow, 1958 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
E | [51650] | E → X V | 51143 1 H | |||||||||
↳Johns and Barrow, 1958 | ||||||||||||
E → X V | 51302 1 H | |||||||||||
↳Johns and Barrow, 1958 | ||||||||||||
Unassigned V shaded bands in the region 47639 - 48325 cm-1. | ||||||||||||
↳Dovell and Barrow, 1951 | ||||||||||||
D 2Σ+ | 47418.6 | 1003.2 | 5.64 | 0.625 | 0.0055 | 1.544 | D → X V | 47491.4 2 | ||||
↳Dovell and Barrow, 1951; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
D' 2Π | 46612.5 3 | 1032.9 | 5.28 | 0.6329 4 | 0.0044 | 1.5343 | D' → B | (12061.8) | ||||
↳Barrow, Butler, et al., 1959 | ||||||||||||
D' → A V | 23912.6 | |||||||||||
↳Johnson and Jenkins, 1927; Barrow, Butler, et al., 1959 | ||||||||||||
D' → X | (46700.2) | |||||||||||
↳Barrow, Butler, et al., 1959 | ||||||||||||
C' 2Π | 41964.7 5 | 1031.8 | 4.45 | 0.6376 4 | 0.0039 | 1.5286 | C' → A V | 19264.5 | ||||
↳Johnson and Jenkins, 1927; Barrow, Butler, et al., 1959 | ||||||||||||
C' → X | (42052.1) | |||||||||||
↳Barrow, Butler, et al., 1959 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
C 2Δ | 39438.0 6 | [878.38] Z | 5.8 7 | 0.60338 8 | 0.00539 | [12.1E-7] 9 | 1.57137 | C → X 10 V | 39454.14 Z | |||
↳Asundi and Samuel, 1936; Johns and Barrow, 1958; missing citation | ||||||||||||
B 2Σ+ | 34561.5 | 1011.23 Z | 4.825 | 0.62707 8 | 0.00462 | 10.1E-7 | 1.54140 | B → A 11 V | 11850.84 Z | |||
↳missing citation | ||||||||||||
B → X $nV | 34638.5 | |||||||||||
↳missing citation; Asundi and Samuel, 1936; Singh and Singh, 1968 | ||||||||||||
a 4Σ- | 29805.06 | 863.16 Z | 5.370 | 0.57862 12 | 0.00502 | 10.5E-7 | 1.6046 | a → X 13 | 29807.89 Z | |||
↳missing citation; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
A 2Σ+ | 22858.3 | 718.58 Z | 10.167 | 0.157 | 0.57839 14 8 | 0.00941 | 1.3E-4 | 15.7E-7 | 1.60496 | A ↔ X 15 16 R | 22787.64 Z | |
↳missing citation; Eyster, 1937; Johns and Barrow, 1958 | ||||||||||||
X 2Πr | 0 17 | 857.19 Z | 4.735 | 0.58121 18 8 | 0.00494 | 10.7E-7 | 1.6011 |
Notes
1 | Q1 and P2 heads. (The head designations in Table 4 of Johns and Barrow, 1958 are erroneous.) |
2 | According to Dovell and Barrow, 1951 the 0-0 Q1 and P2 heads are at 47569.2 and 47408.9 cm-1, respectively. |
3 | A ~0. |
4 | Barrow, Butler, et al., 1959 give Λ-doubling constants. |
5 | A = 16.54. |
6 | Appelblad, Barrow, et al., 1968 assume a regular state with A0 =+2.46 Appelblad, Barrow, et al., 1968 and A1 = +2.35 Appelblad, Barrow, et al., 1968. |
7 | From Johns and Barrow, 1958; Pekeris' relation gives 7.01 Appelblad, Barrow, et al., 1968. |
8 | RKR potential curves Singh and Rai, 1966. |
9 | D1 = 13.5E-7. |
10 | Franck-Condon factors Singh and Maheshwari, 1969. |
11 | Franck-Condon factors Wentink and Spindler, 1970. |
12 | Spin splitting constants λ0 = +0.274, γ0 = +0.00188; Martin and Merer, 1973 find that the 4Σ levels can be fitted with one ρ-type doubling parameter γ rather than the two proposed by Hougen, 1962 to account for earlier results by Verma, 1962. |
13 | Two short 0-0 sequences of headless bands centered at 29728 and 29890 cm-1. Franck- Condon factors Singh, 1975. |
14 | Spin splitting constant γ0 = -0.00625. |
15 | Radiative lifetime τ(v=0) = 0.23 μs Davis and Hadley, 1976. |
16 | Observed in absorption in a shock tube experiment Kuzyakov, Ovcharenko, et al., 1970. Franck-Condon factors Wentink and Spindler, 1970. Electronic transition moment Kuzyakov, Ovcharenko, et al., 1970, variation with r Kuzmenko, Smirnov, et al., 1970. |
17 | A0 = +161.88 Martin and Merer, 1973, A1 = +162.04 Martin and Merer, 1973, A2 = +162.19 Martin and Merer, 1973, see also Appelblad, Barrow, et al., 1968. Small J- dependent terms have also been determined. |
18 | Λ-doubling constants p0 = -0.00299 [i.e., Δ vfe(2Π1/2) ~ -0.0030(J+1/2)], q0 = -1.06E-5 Martin and Merer, 1973. |
19 | Thermochemical value (mass-spectrometry) Ehlert and Margrave, 1964. |
20 | Extrapolation of a short Rydberg series B,D,H... Johns and Barrow, 1958: The value of Johns and Barrow, 1958 has been slightly modified in accordance with the definition of the I.P.. Ehlert and Margrave, 1964 give an electron impact appearance potential of 7.5 eV; ab initio calculations predict 7.4 eV. O'Hare and Wahl, 1971 |
21 | Franck-Condon factors Mohanty and Singh, 1969, Wentink and Spindler, 1970; variation of transition moment with r Kuz'menko, Kuzyakov, et al., 1970. |
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]
Kawamata, Neigishi, et al., 1996
Kawamata, H.; Neigishi, Y.; Kishi, R.; Iwata, S.; Nakajima, A.; Kaya, K.,
Photoelectron Spectroscopy of Silicon-Fluorine Binary Cluster Anions (SinFm-),
J. Chem. Phys., 1996, 105, 13, 5369, https://doi.org/10.1063/1.472377
. [all data]
Reents, Mandich, et al., 1986
Reents, W.D.; Mandich, M.L.; Bondebey, V.E.,
Reaction of Anionic and Cationic Silicon Clusters with Tungsten Hexafluoride Studied by Fourier Transform Mass Spectrometry,
Chem. Phys. Lett., 1986, 131, 1-2, 1, https://doi.org/10.1016/0009-2614(86)80507-3
. [all data]
Weber and Armentrout, 1988
Weber, M.E.; Armentrout, P.B.,
Energetics and dynamics in the reaction of Si+ with SiF4. Thermochemistry of SiFx and SiFx+ (x=1,2,3),
J. Chem. Phys., 1988, 11, 6898. [all data]
Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G.,
Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]
Johns and Barrow, 1958
Johns, J.W.C.; Barrow, R.F.,
The band spectrum of silicon monofluoride, SiF,
Proc. Phys. Soc. (London), 1958, 71, 476. [all data]
Bialski and Grein, 1976
Bialski, M.; Grein, F.,
Theoretical studies on low-lying valence states of NS, SiF, and CCl,
J. Mol. Spectrosc., 1976, 61, 321. [all data]
Dovell and Barrow, 1951
Dovell, W.H.; Barrow, R.F.,
A new ultra-violet band-system of SiF,
Proc. Phys. Soc. London Sect. A, 1951, 64, 98. [all data]
Barrow, Butler, et al., 1959
Barrow, R.F.; Butler, D.; Johns, J.W.C.; Powell, J.L.,
Some observations on the spectra of the diatomic fluorides of silicon, germanium, tin, and lead,
Proc. Phys. Soc. London, 1959, 73, 317. [all data]
Johnson and Jenkins, 1927
Johnson, R.C.; Jenkins, H.G.,
The band spectra of silicon fluoride,
Proc. R. Soc. London A, 1927, 116, 327. [all data]
Asundi and Samuel, 1936
Asundi, R.K.; Samuel, R.,
On the band systems and structure of SiF,
Proc. Indian Acad. Sci. Sect. A, 1936, 3, 346. [all data]
Singh and Singh, 1968
Singh, O.N.; Singh, I.S.,
Rotational analysis of the β band system of SiF molecule,
Curr. Sci., 1968, 37, 8. [all data]
Eyster, 1937
Eyster, E.H.,
The structure of the α and β band systems of SiF,
Phys. Rev., 1937, 51, 1078. [all data]
Appelblad, Barrow, et al., 1968
Appelblad, O.; Barrow, R.F.; Verma, R.D.,
Rotational analysis of the γ bands of SiF,
J. Phys. B:, 1968, 1, 274. [all data]
Singh and Rai, 1966
Singh, R.B.; Rai, D.K.,
Potential curves for some diatomic molecules: P2, PN, SiN, NBr, BaO, BeF, SiF & SnF,
Indian J. Pure Appl. Phys., 1966, 4, 102. [all data]
Singh and Maheshwari, 1969
Singh, I.D.; Maheshwari, R.C.,
Franck-Condon factors & r-centroids for the C-X system of SiF molecule,
Indian J. Pure Appl. Phys., 1969, 7, 708. [all data]
Wentink and Spindler, 1970
Wentink, T., Jr.; Spindler, R.J., Jr.,
Franck-Condon Factors and r-centroids for No+, CP, SiF, BF, BCl, and BBr,
J. Quant. Spectrosc. Radiat. Transfer, 1970, 10, 609. [all data]
Martin and Merer, 1973
Martin, R.W.; Merer, A.J.,
The a4Σ--X2Π electronic transition of SiF,
Can. J. Phys., 1973, 51, 634. [all data]
Hougen, 1962
Hougen, J.T.,
The rotational energy levels of diatomic molecules in 4Σ electronic states,
Can. J. Phys., 1962, 40, 598. [all data]
Verma, 1962
Verma, R.D.,
A 4Σ-2Π transition of the SiF molecule,
Can. J. Phys., 1962, 40, 586. [all data]
Singh, 1975
Singh, J.,
Vibrational transition probabilities & r-centroids for diatomic fluorides of Si & Ge,
Indian J. Pure Appl. Phys., 1975, 13, 204. [all data]
Davis and Hadley, 1976
Davis, S.J.; Hadley, S.G.,
Measurement of the radiative lifetime of the A2Σ(v' = 0) state of SiF,
Phys. Rev. A: Gen. Phys., 1976, 14, 1146. [all data]
Kuzyakov, Ovcharenko, et al., 1970
Kuzyakov, Yu.Ya.; Ovcharenko, I.E.; Kuz'menko, N.E.; Kurdyumova, I.N.,
Determination of matrix element of dipole moment of electronic transition A2Σ - X2Π in SiF molecule,
J. Appl. Spectrosc. Engl. Transl., 1970, 12, 425, In original 555. [all data]
Kuzmenko, Smirnov, et al., 1970
Kuzmenko, N.E.; Smirnov, A.D.; Kuzyakov, Y.Y.,
On the dependence of the elctron transition moment Re on the internuclear distance for the α-bands of SiF,
Moscow Univ. Chem. Bull. Engl. Transl., 1970, 25, 59, In original 357. [all data]
Ehlert and Margrave, 1964
Ehlert, T.C.; Margrave, J.L.,
Mass-spectrometric studies at high temperatures. II. The dissociation energies of the monofluorides and difluorides of silicon and germanium,
J. Chem. Phys., 1964, 41, 1066. [all data]
O'Hare and Wahl, 1971
O'Hare, P.A.G.; Wahl, A.C.,
Molecular orbital investigation of CF and SiF and their positive and negative ions,
J. Chem. Phys., 1971, 55, 666. [all data]
Mohanty and Singh, 1969
Mohanty, B.S.; Singh, O.N.,
Franck-Condon factors & r-centroids of some band systems of the monofluorides of silicon, calcium & bismuth,
Indian J. Pure Appl. Phys., 1969, 7, 109. [all data]
Kuz'menko, Kuzyakov, et al., 1970
Kuz'menko, N.E.; Kuzyakov, Yu.Ya.; Smirnov, A.D.,
Intensity distribution in the electron emission spectrum of the SiF molecule,
J. Appl. Spectrosc. Engl. Transl., 1970, 13, 1304, In original 616. [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 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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