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Difluorosilylene


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-587.85kJ/molReviewChase, 1998Data last reviewed in December, 1977
Quantity Value Units Method Reference Comment
gas,1 bar256.58J/mol*KReviewChase, 1998Data last reviewed in December, 1977

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. - 1000.1000. - 6000.
A 31.8067757.64632
B 67.033540.580982
C -65.39215-0.239494
D 22.797650.034826
E -0.185259-1.985761
F -600.4040-610.8473
G 276.7444317.3074
H -587.8520-587.8520
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1977 Data last reviewed in December, 1977

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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to F2Si+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
0.10 ± 0.10LPESKawamata, Neigishi, et al., 1996Vertical Detachment Energy: 0.68±0.02 eV; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.78 ± 0.05PEWestwood, 1974LLK
11.3 ± 0.1EIMcDonald, Williams, et al., 1968RDSH
11.08PEFehlner and Turner, 1974Vertical value; LLK

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: Marilyn E. Jacox

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 62280 gas B-X 158 165 Gole, Hauge, et al., 1972
Dagata, Squire, et al., 1987
Horwitz, Dulcey, et al., 1988
Johnson, Hudgens, et al., 1996


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 790 T gas AB MPI Gole, Hauge, et al., 1972
Johnson, Hudgens, et al., 1996
2 Bend 320 T gas AB Gole, Hauge, et al., 1972

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 44113.9 gas A-X 213 276 Johns, Chantry, et al., 1958
Rao and Venkateswarlu, 1961
Khanna, Besenbruch, et al., 1967
Dixon and Halle, 1970
Matsumi, Toyoda, et al., 1986
Vanhaelemeersch, Van Hoeymissen, et al., 1991
Biehl, Boyle, et al., 1997
To = 43964 T Ne A-X 216 225 Milligan and Jacox, 1968


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 2 Bend 250.1 ± 0.3 gas AB LF Khanna, Besenbruch, et al., 1967
Dixon and Halle, 1970
Vanhaelemeersch, Van Hoeymissen, et al., 1991
Karolczak, Judge, et al., 1995
2 Bend 253 T Ne AB Milligan and Jacox, 1968

State:   a


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 26319.478 ± 0.006 gas a-X 364 420 Rao, 1970
Horwitz, Dulcey, et al., 1988
Karolczak, Judge, et al., 1995
Johnson, Hudgens, et al., 1996
Biehl, Boyle, et al., 1997
Harper, Clouthier, et al., 1998


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 2 Bend 278.2 gas EM LF Rao, 1970
Horwitz, Dulcey, et al., 1988
Karolczak, Judge, et al., 1995

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 855.01 gas IR LF Khanna, Hauge, et al., 1967
Caldow, Deeley, et al., 1981
Vanhaelemeersch, Van Hoeymissen, et al., 1991
1 Sym. stretch 851 s Ne IR Hastie, Hauge, et al., 1969
1 Sym. stretch 843 s Ar IR Milligan and Jacox, 1968
Hastie, Hauge, et al., 1969
2 Bend 345 gas MW UV Rao and Curl, 1966
Khanna, Besenbruch, et al., 1967
2 Bend 345 gas LF MPI Vanhaelemeersch, Van Hoeymissen, et al., 1991
Johnson, Hudgens, et al., 1996
2 Bend 343 Ar IR Milligan and Jacox, 1968
b2 3 Asym. stretch 870.40 gas IR Khanna, Hauge, et al., 1967
Caldow, Deeley, et al., 1981
3 Asym. stretch 864.6 s Ne IR Hastie, Hauge, et al., 1969
3 Asym. stretch 855 vs Ar IR Milligan and Jacox, 1968
Hastie, Hauge, et al., 1969

Additional references: Jacox, 1994, page 100; Jacox, 1998, page 197; Jacox, 2003, page 140; Rao, Curl, et al., 1965; Fehlner and Turner, 1974; Bizzocchi and Degli Esposti, 2006

Notes

sStrong
vsVery strong
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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]

Westwood, 1974
Westwood, N.P.C., The photoelectron spectrum of silicon difluoride, Chem. Phys. Lett., 1974, 25, 558. [all data]

McDonald, Williams, et al., 1968
McDonald, J.D.; Williams, C.H.; Thompson, J.C.; Margrave, J.L., Appearance potentials, ionization potentials and heats of formation for perfluorosilanes and perfluoroborosilanes, Advan. Chem. Ser., 1968, 72, 261. [all data]

Fehlner and Turner, 1974
Fehlner, T.P.; Turner, D.W., The photoelectron spectrum of SiF2, Inorg. Chem., 1974, 13, 754. [all data]

Gole, Hauge, et al., 1972
Gole, J.L.; Hauge, R.H.; Margrave, J.L.; Hastie, J.W., The vaccum ultraviolet spectra of SiF2 and GeF2, J. Mol. Spectrosc., 1972, 43, 3, 441, https://doi.org/10.1016/0022-2852(72)90055-0 . [all data]

Dagata, Squire, et al., 1987
Dagata, J.A.; Squire, D.W.; Dulcey, C.S.; Hsu, D.S.Y.; Lin, M.C., MPI/MS detection of SiF and SiF2 radicals produced from the reaction of F2 and NF3 with silicon, Chem. Phys. Lett., 1987, 134, 2, 151, https://doi.org/10.1016/0009-2614(87)87112-9 . [all data]

Horwitz, Dulcey, et al., 1988
Horwitz, J.S.; Dulcey, C.S.; Lin, M.C., REMPI/MS detection of SiF2 radicals by (3+1) and (1+3) photoionization, Chem. Phys. Lett., 1988, 150, 1-2, 165, https://doi.org/10.1016/0009-2614(88)80415-9 . [all data]

Johnson, Hudgens, et al., 1996
Johnson, R.D., III; Hudgens, J.W.; Ashfold, M.N.R., Excited electronic states of the SiF2 radical studied by resonance enhanced multiphoton ionisation spectroscopy and by ab initio methods, Chem. Phys. Lett., 1996, 261, 4-5, 474, https://doi.org/10.1016/0009-2614(96)00990-6 . [all data]

Johns, Chantry, et al., 1958
Johns, J.W.C.; Chantry, G.W.; Barrow, R.F., The ultra-violet spectrum of silicon difluoride, Trans. Faraday Soc., 1958, 54, 1589, https://doi.org/10.1039/tf9585401589 . [all data]

Rao and Venkateswarlu, 1961
Rao, D.R.; Venkateswarlu, P., Emission spectrum of SiF2, J. Mol. Spectrosc., 1961, 7, 1-6, 287, https://doi.org/10.1016/0022-2852(61)90362-9 . [all data]

Khanna, Besenbruch, et al., 1967
Khanna, V.M.; Besenbruch, G.; Margrave, J.L., Ultraviolet Absorption Spectrum of SiF2, J. Chem. Phys., 1967, 46, 6, 2310, https://doi.org/10.1063/1.1841037 . [all data]

Dixon and Halle, 1970
Dixon, R.N.; Halle, M., Rotational analysis of absorption bands in the 2266 Å system of SiF2, J. Mol. Spectrosc., 1970, 36, 2, 192, https://doi.org/10.1016/0022-2852(70)90104-9 . [all data]

Matsumi, Toyoda, et al., 1986
Matsumi, Y.; Toyoda, S.; Hayashi, T.; Miyamura, M.; Yoshikawa, H.; Komiya, S., Laser-induced fluorescence study of silicon etching process: Detection of SiF2 and CF2 radicals, J. Appl. Phys., 1986, 60, 12, 4102, https://doi.org/10.1063/1.337489 . [all data]

Vanhaelemeersch, Van Hoeymissen, et al., 1991
Vanhaelemeersch, S.; Van Hoeymissen, J.; Vermeylen, D.; Peeters, J., SiF2 as a primary desorption product of Si etching by F atoms: Interpretation of laser-induced fluorescence spectra; rate constant of the gas phase SiF2+F reaction, J. Appl. Phys., 1991, 70, 7, 3892, https://doi.org/10.1063/1.349197 . [all data]

Biehl, Boyle, et al., 1997
Biehl, H.; Boyle, K.J.; Seccombe, D.P.; Smith, D.M.; Tuckett, R.P.; Yoxall, K.R.; Baumgartel, H.; Jochims, H.W., Vacuum-UV fluorescence spectroscopy of SiF[sub 4] in the range 10--30 eV, J. Chem. Phys., 1997, 107, 3, 720, https://doi.org/10.1063/1.474437 . [all data]

Milligan and Jacox, 1968
Milligan, D.E.; Jacox, M.E., Matrix-Isolation Study of the Vacuum-Ultraviolet Photolysis of Difluorosilane. The Infrared and Ultraviolet Spectra of the Free Radical SiF2, J. Chem. Phys., 1968, 49, 10, 4269, https://doi.org/10.1063/1.1669870 . [all data]

Karolczak, Judge, et al., 1995
Karolczak, J.; Judge, R.H.; Clouthier, D.J., Experimental Determination of the Structure of SiF2 in Its Excited Triplet State, J. Am. Chem. Soc., 1995, 117, 37, 9523, https://doi.org/10.1021/ja00142a020 . [all data]

Rao, 1970
Rao, D.R., New electronic emission from SiF2, J. Mol. Spectrosc., 1970, 34, 2, 284, https://doi.org/10.1016/0022-2852(70)90093-7 . [all data]

Harper, Clouthier, et al., 1998
Harper, W.W.; Clouthier, D.J.; Judge, R.H., Rotational Analysis of the 210and 220Bands of the ã3B1<--X1A1System of Jet-Cooled Silicon Difluoride, J. Mol. Spectrosc., 1998, 189, 1, 46, https://doi.org/10.1006/jmsp.1998.7527 . [all data]

Khanna, Hauge, et al., 1967
Khanna, V.M.; Hauge, R.; Curl, R.F., Jr.; Margrave, J.L., J. Chem. Phys., 1967, 47, 5031. [all data]

Caldow, Deeley, et al., 1981
Caldow, G.L.; Deeley, C.M.; Turner, P.H.; Mills, I.M., The infrared spectrum of silicon difluoride, Chem. Phys. Lett., 1981, 82, 3, 434, https://doi.org/10.1016/0009-2614(81)85414-0 . [all data]

Hastie, Hauge, et al., 1969
Hastie, J.W.; Hauge, R.H.; Margrave, J.L., Infrared spectra of silicon difluroide in neon and argon matrixes, J. Am. Chem. Soc., 1969, 91, 10, 2536, https://doi.org/10.1021/ja01038a024 . [all data]

Rao and Curl, 1966
Rao, V.M.; Curl, R.F., Jr., Microwave Spectrum and Force Constants of SiF2: Centrifugal Distortion, J. Chem. Phys., 1966, 45, 6, 2032, https://doi.org/10.1063/1.1727887 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Rao, Curl, et al., 1965
Rao, V.M.; Curl, R.F., Jr.; Timms, P.L.; Margrave, J.L., Microwave Spectrum of SiF2, J. Chem. Phys., 1965, 43, 7, 2557, https://doi.org/10.1063/1.1697165 . [all data]

Bizzocchi and Degli Esposti, 2006
Bizzocchi, L.; Degli Esposti, C., Millimeter and submillimeter-wave spectroscopy of silicon difluoride, J. Mol. Spectrosc., 2006, 235, 1, 117, https://doi.org/10.1016/j.jms.2005.10.011 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References