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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
Deltafgas147.00kcal/molReviewChase, 1998Data last reviewed in March, 1967
Quantity Value Units Method Reference Comment
gas,1 bar56.580cal/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 (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. - 1300.1300. - 6000.
A 8.60097117.31390
B 10.68550-3.228320
C -7.2249811.256401
D 1.796591-0.114678
E -0.025909-1.241170
F 143.9340138.5860
G 63.9623173.63979
H 147.0000147.0000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1967 Data last reviewed in March, 1967

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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:
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

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: Marilyn E. Jacox

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (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)(2nu)
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 «nu»'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

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