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silicon fluoride


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
Deltafgas-20.08kJ/molReviewChase, 1998Data last reviewed in December, 1976
Quantity Value Units Method Reference Comment
gas,1 bar225.73J/mol*KReviewChase, 1998Data 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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 6000.
A 35.39066
B 2.156652
C -0.550640
D 0.057158
E -0.318310
F -31.79212
G 266.1505
H -20.08303
ReferenceChase, 1998
Comment Data last reviewed in December, 1976

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry 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

Symbols used in the table of constants
SymbolMeaning
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)
Diatomic constants for 28Si19F
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Theoretical studies of low-lying valence states Bialski and Grein, 1976.
I [52834]          I rarrow X V 52325 1 H
Johns and Barrow, 1958
           I rarrow X V 52489 1 H
Johns and Barrow, 1958
H (2Sigma+) (52095) [1022] H         H rarrow X V 52098 1 H
Johns and Barrow, 1958
           H rarrow X V 52260 1 H
Johns and Barrow, 1958
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
(G) (51941) [1008] H         (G rarrow X) V 51938 1 H
Johns and Barrow, 1958
           (G rarrow X) V 52098 1 H
Johns and Barrow, 1958
F [52195]          F rarrow X V 51685 1 H
Johns and Barrow, 1958
           F rarrow X V 51851 1 H
Johns and Barrow, 1958
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
E [51650]          E rarrow X V 51143 1 H
Johns and Barrow, 1958
           E rarrow 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 2Sigma+ 47418.6 1003.2 5.64  0.625 0.0055    1.544 D rarrow X V 47491.4 2
Dovell and Barrow, 1951; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
D' 2Pi 46612.5 3 1032.9 5.28  0.6329 4 0.0044    1.5343 D' rarrow B (12061.8)
Barrow, Butler, et al., 1959
           D' rarrow A V 23912.6
Johnson and Jenkins, 1927; Barrow, Butler, et al., 1959
           D' rarrow X (46700.2)
Barrow, Butler, et al., 1959
C' 2Pi 41964.7 5 1031.8 4.45  0.6376 4 0.0039    1.5286 C' rarrow A V 19264.5
Johnson and Jenkins, 1927; Barrow, Butler, et al., 1959
           C' rarrow X (42052.1)
Barrow, Butler, et al., 1959
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
C 2Delta 39438.0 6 [878.38] Z 5.8 7  0.60338 8 0.00539  [12.1E-7] 9  1.57137 C rarrow X 10 V 39454.14 Z
Asundi and Samuel, 1936; Johns and Barrow, 1958; missing citation
B 2Sigma+ 34561.5 1011.23 Z 4.825  0.62707 8 0.00462  10.1E-7  1.54140 B rarrow A 11 V 11850.84 Z
missing citation
           B rarrow X $nV 34638.5
missing citation; Asundi and Samuel, 1936; Singh and Singh, 1968
a 4Sigma- 29805.06 863.16 Z 5.370  0.57862 12 0.00502  10.5E-7  1.6046 a rarrow X 13 29807.89 Z
missing citation; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 2Sigma+ 22858.3 718.58 Z 10.167 0.157 0.57839 14 8 0.00941 1.3E-4 15.7E-7  1.60496 A lrarrow X 15 16 R 22787.64 Z
missing citation; Eyster, 1937; Johns and Barrow, 1958
X 2Pir 0 17 857.19 Z 4.735  0.58121 18 8 0.00494  10.7E-7  1.6011  

Notes

1Q1 and P2 heads. (The head designations in Table 4 of Johns and Barrow, 1958 are erroneous.)
2According to Dovell and Barrow, 1951 the 0-0 Q1 and P2 heads are at 47569.2 and 47408.9 cm-1, respectively.
3A ~0.
4 Barrow, Butler, et al., 1959 give Lambda-doubling constants.
5A = 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.
7From Johns and Barrow, 1958; Pekeris' relation gives 7.01 Appelblad, Barrow, et al., 1968.
8RKR potential curves Singh and Rai, 1966.
9D1 = 13.5E-7.
10Franck-Condon factors Singh and Maheshwari, 1969.
11Franck-Condon factors Wentink and Spindler, 1970.
12Spin splitting constants lambda0 = +0.274, gamma0 = +0.00188; Martin and Merer, 1973 find that the 4Sigma levels can be fitted with one rho-type doubling parameter gamma rather than the two proposed by Hougen, 1962 to account for earlier results by Verma, 1962.
13Two short 0-0 sequences of headless bands centered at 29728 and 29890 cm-1. Franck- Condon factors Singh, 1975.
14Spin splitting constant gamma0 = -0.00625.
15Radiative lifetime tau(v=0) = 0.23 mus Davis and Hadley, 1976.
16Observed 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.
17A0 = +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.
18Lambda-doubling constants p0 = -0.00299 [i.e., Delta vfe(2Pi1/2) ~ -0.0030(J+1/2)], q0 = -1.06E-5 Martin and Merer, 1973.
19Thermochemical value (mass-spectrometry) Ehlert and Margrave, 1964.
20Extrapolation 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
21Franck-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, 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]

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]

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]

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 «beta» band system of SiF molecule, Curr. Sci., 1968, 37, 8. [all data]

Eyster, 1937
Eyster, E.H., The structure of the «alpha» and «beta» 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 «gamma» 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 a4«SIGMA»--X2«PI» 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 4«SIGMA» electronic states, Can. J. Phys., 1962, 40, 598. [all data]

Verma, 1962
Verma, R.D., A 4«SIGMA»-2«PI» 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 A2«SIGMA»(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 A2«SIGMA» - X2«PI» 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 «alpha»-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, Constants of diatomic molecules, References