Silicon dicarbide


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
Δfgas615.05kJ/molReviewChase, 1998Data last reviewed in March, 1967
Quantity Value Units Method Reference Comment
gas,1 bar236.73J/mol*KReviewChase, 1998Data last reviewed in March, 1967

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. - 1300.1300. - 6000.
A 35.9864672.44136
B 44.70813-13.50729
C -30.229325.256778
D 7.516933-0.479813
E -0.108405-5.193055
F 602.2199579.8438
G 267.6183308.1089
H 615.0480615.0480
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1967 Data last reviewed in March, 1967

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

Electron affinity determinations

EA (eV) Method Reference Comment
1.37 ± 0.10LPESNakajima, Taguwa, et al., 1995Vertical Detachment Energy: 1.54±0.06 eV; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.1 ± 0.5EIStearns and Kohl, 1973LLK
10.3 ± 0.5EIGuido and Gigli, 1973LLK
10.2 ± 0.3EIDrowart, DeMaria, et al., 1958RDSH

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:   A


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 20065.505 gas A-X 402 507 Kleman, 1956
Verma and Nagaraj, 1974
Bondybey, 1982
Bredohl, Dubois, et al., 1988
Butenhoff and Rohlfing, 1991
To = 20142 Ne A-X 409 611 Weltner and McLeod, 1964
Bondybey, 1982


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

a1 1 CC stretch 1462 gas EM AB Kleman, 1956
Verma and Nagaraj, 1974
Bondybey, 1982
1 CC stretch 1462 gas LF Bredohl, Dubois, et al., 1988
Butenhoff and Rohlfing, 1991
1 CC stretch 1462 Ne AB LF Weltner and McLeod, 1964
Bondybey, 1982
1 CC stretch 1457 Ar AB Shepherd and Graham, 1986
2 CSi s-stretch 455.04 gas LF EM Bondybey, 1982
Bredohl, Dubois, et al., 1988
Butenhoff and Rohlfing, 1991
2 CSi s-stretch 462 Ne AB LF Weltner and McLeod, 1964
Bondybey, 1982
2 CSi s-stretch 448 Ar AB Shepherd and Graham, 1986
b2 3 CSi a-stretch 487 gas LF Butenhoff and Rohlfing, 1991

State:   X


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

a1 1 CC stretch 1746.0 ± 2.8 gas EM LF Kleman, 1956
Butenhoff and Rohlfing, 1991
1 CC stretch 1746 s Ne IR LF Weltner and McLeod, 1964
Bondybey, 1982
1 CC stretch 1741.3 Ar IR Shepherd and Graham, 1985
Presilla-Marquez, Graham, et al., 1990
2 CSi s-stretch 840.6 ± 1.2 gas EM LF Kleman, 1956
Shepherd and Graham, 1988
Butenhoff and Rohlfing, 1991
2 CSi s-stretch 836 m Ne IR LF Weltner and McLeod, 1964
Bondybey, 1982
2 CSi s-stretch 824.3 Ar IR Shepherd and Graham, 1985
Presilla-Marquez, Graham, et al., 1990
b2 3 CSi a-stretch 196.37 ± 0.04 gas MW LF Gottlieb, Vrtilek, et al., 1989
Butenhoff and Rohlfing, 1991
3 CSi a-stretch 172 H Ne LF Bondybey, 1982
3 CSi a-stretch 160.4 Ar IR Presilla-Marquez, Graham, et al., 1990

Additional references: Jacox, 1994, page 66; Jacox, 1998, page 170; Michalopoulos, Geusic, et al., 1984; Thaddeus, Cummins, et al., 1984; Snyder, Henkel, et al., 1985; Suenram, Lovas, et al., 1989; Coudert, 1993; Ross, Butenhoff, et al., 1994

Notes

mMedium
sStrong
H(1/2)(2ν)
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, 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]

Nakajima, Taguwa, et al., 1995
Nakajima, A.; Taguwa, T.; Nakao, K.; Gomei, M.; Kishi, R.; Iwata, S.; Kaya, K., Photoelectron Spectroscopy of silicon-carbon cluster Anions (SinCm-), J. Chem. Phys., 1995, 103, 6, 2050, https://doi.org/10.1063/1.469731 . [all data]

Stearns and Kohl, 1973
Stearns, C.A.; Kohl, F.J., Mass spectrometric determination of the dissociation energies of gaseous Al2, AlSi, and AlSiO, High Temp. Sci., 1973, 5, 113. [all data]

Guido and Gigli, 1973
Guido, M.; Gigli, G., Mass spectrometric study of the CeSiC molecules, J. Chem. Phys., 1973, 59, 3437. [all data]

Drowart, DeMaria, et al., 1958
Drowart, J.; DeMaria, G.; Inghram, M.G., Thermodynamic study of SiC utilizing a mass spectrometer, J. Chem. Phys., 1958, 29, 1015. [all data]

Kleman, 1956
Kleman, B., Laboratory Excitation of the Blue-Green Bands Observed in the Spectra of N-Type Stars., Astrophys. J., 1956, 123, 162, https://doi.org/10.1086/146142 . [all data]

Verma and Nagaraj, 1974
Verma, R.D.; Nagaraj, S., Can. J. Phys., 1974, 52, 1938. [all data]

Bondybey, 1982
Bondybey, V.E., Laser vaporization of silicon carbide. Lifetime and spectroscopy of silicon carbide (SiC2), J. Phys. Chem., 1982, 86, 17, 3396, https://doi.org/10.1021/j100214a026 . [all data]

Bredohl, Dubois, et al., 1988
Bredohl, H.; Dubois, I.; Leclercq, H.; Melen, F., Rotational analysis of the 000-000 and 010-000 bands of SiC2, J. Mol. Spectrosc., 1988, 128, 2, 399, https://doi.org/10.1016/0022-2852(88)90156-7 . [all data]

Butenhoff and Rohlfing, 1991
Butenhoff, T.J.; Rohlfing, E.A., Laser-induced fluorescence spectroscopy of jet-cooled SiC2, J. Chem. Phys., 1991, 95, 1, 1, https://doi.org/10.1063/1.461476 . [all data]

Weltner and McLeod, 1964
Weltner, W., Jr.; McLeod, D., Jr., Spectroscopy of Silicon Carbide and Silicon Vapors Trapped in Neon and Argon Matrices at 4° and 20°K, J. Chem. Phys., 1964, 41, 1, 235, https://doi.org/10.1063/1.1725627 . [all data]

Shepherd and Graham, 1986
Shepherd, R.A.; Graham, W.R.M., Proc. 17th Internatl. Sympos. on Free Radicals, 1986, Natl. Bur. Stand. Special Publ. 716. [all data]

Shepherd and Graham, 1985
Shepherd, R.A.; Graham, W.R.M., FTIR matrix isolation study of carbon-13 substituted SiC2, J. Chem. Phys., 1985, 82, 11, 4788, https://doi.org/10.1063/1.448696 . [all data]

Presilla-Marquez, Graham, et al., 1990
Presilla-Marquez, J.D.; Graham, W.R.M.; Shepherd, R.A., Fourier transform far infrared spectroscopy of the ν'3 vibration of SiC2 in Ar at 10 K, J. Chem. Phys., 1990, 93, 8, 5424, https://doi.org/10.1063/1.459638 . [all data]

Shepherd and Graham, 1988
Shepherd, R.A.; Graham, W.R.M., Some implications from matrix studies for the structure and vibrational assignments of SiC2, J. Chem. Phys., 1988, 88, 5, 3399, https://doi.org/10.1063/1.453938 . [all data]

Gottlieb, Vrtilek, et al., 1989
Gottlieb, C.A.; Vrtilek, J.M.; Thaddeus, P., Laboratory Measurement of the Rotational Spectrum of SiCC, Astrophys. J., 1989, 343, L29, https://doi.org/10.1086/185503 . [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]

Michalopoulos, Geusic, et al., 1984
Michalopoulos, D.L.; Geusic, M.E.; Langridge-Smith, P.R.R.; Smalley, R.E., Visible spectroscopy of jet-cooled SiC2: Geometry and electronic structure, J. Chem. Phys., 1984, 80, 8, 3556, https://doi.org/10.1063/1.447201 . [all data]

Thaddeus, Cummins, et al., 1984
Thaddeus, P.; Cummins, S.E.; Linke, R.A., Identification of the SiCC radical toward IC +10216 - The first molecular ring in an astronomical source, Astrophys. J., 1984, 283, L45, https://doi.org/10.1086/184330 . [all data]

Snyder, Henkel, et al., 1985
Snyder, L.E.; Henkel, C.; Hollis, J.M.; Lovas, F.J., Observations of the SiC2 radical toward IRC + 10216 at 1.27 centimeters, Astrophys. J., 1985, 290, L29, https://doi.org/10.1086/184436 . [all data]

Suenram, Lovas, et al., 1989
Suenram, R.D.; Lovas, F.J.; Matsumura, K., Laboratory measurement of the 1(01)-0(00) transition and electric dipole moment of SiC2, Astrophys. J., 1989, 342, L103, https://doi.org/10.1086/185495 . [all data]

Coudert, 1993
Coudert, L.H., Analysis of the Rotational Levels of SiC2, J. Mol. Spectrosc., 1993, 160, 1, 225, https://doi.org/10.1006/jmsp.1993.1170 . [all data]

Ross, Butenhoff, et al., 1994
Ross, S.C.; Butenhoff, T.J.; Rohlfing, E.A.; Rohlfing, C.M., SiC2: A molecular pinwheel, J. Chem. Phys., 1994, 100, 6, 4110, https://doi.org/10.1063/1.466348 . [all data]


Notes

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