silicon fluoride

Formula: FSi
Molecular weight: 47.0839
IUPAC Standard InChI: InChI=1S/FSi/c1-2
IUPAC Standard InChIKey: ZHPNWZCWUUJAJC-UHFFFAOYSA-N
CAS Registry Number: 11128-24-8
Chemical structure:
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Other names: Silylidyne, fluoro-
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Constants of diatomic molecules

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through September, 1977

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	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
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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
D ²Σ⁺	↳Dovell and Barrow, 1951; missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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
C ²Δ	↳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
a ⁴Σ^-	↳missing citation; missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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
A ²Σ⁺	↳missing citation; Eyster, 1937; Johns and Barrow, 1958
X ²Π_r	0 17	857.19 Z	4.735		0.5812₁ 18 8	0.00494		10.7E-7		1.6011

Notes

Q₁ and P₂ heads. (The head designations in Table 4 of Johns and Barrow, 1958 are erroneous.)

According to Dovell and Barrow, 1951 the 0-0 Q₁ and P₂ heads are at 47569.2 and 47408.9 cm^-1, respectively.

A ~0.

Barrow, Butler, et al., 1959 give Λ-doubling constants.

A = 16.5₄.

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.

From Johns and Barrow, 1958; Pekeris' relation gives 7.01 Appelblad, Barrow, et al., 1968.

RKR potential curves Singh and Rai, 1966.

D₁ = 13.5E-7.

Franck-Condon factors Singh and Maheshwari, 1969.

Franck-Condon factors Wentink and Spindler, 1970.

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.

Two short 0-0 sequences of headless bands centered at 29728 and 29890 cm^-1. Franck- Condon factors Singh, 1975.

Spin splitting constant γ₀ = -0.0062₅.

Radiative lifetime τ(v=0) = 0.23 μs Davis and Hadley, 1976.

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.

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.

Λ-doubling constants p₀ = -0.00299 [i.e., Δ v_fe(²Π_1/2) ~ -0.0030(J+1/2)], q₀ = -1.06E-5 Martin and Merer, 1973.

Thermochemical value (mass-spectrometry) Ehlert and Margrave, 1964.

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

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, Constants of diatomic molecules, Notes

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 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 R_e 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, Constants of diatomic molecules, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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