Silicon dicarbide
- Formula: C2Si
- Molecular weight: 52.1069
- CAS Registry Number: 12071-27-1
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 615.05 | kJ/mol | Review | Chase, 1998 | Data last reviewed in March, 1967 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 236.73 | J/mol*K | Review | Chase, 1998 | Data 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. to 1300. | 1300. to 6000. |
---|---|---|
A | 35.98646 | 72.44136 |
B | 44.70813 | -13.50729 |
C | -30.22932 | 5.256778 |
D | 7.516933 | -0.479813 |
E | -0.108405 | -5.193055 |
F | 602.2199 | 579.8438 |
G | 267.6183 | 308.1089 |
H | 615.0480 | 615.0480 |
Reference | Chase, 1998 | Chase, 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 ± 0.10 | LPES | Nakajima, Taguwa, et al., 1995 | Vertical Detachment Energy: 1.54±0.06 eV; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.1 ± 0.5 | EI | Stearns and Kohl, 1973 | LLK |
10.3 ± 0.5 | EI | Guido and Gigli, 1973 | LLK |
10.2 ± 0.3 | EI | Drowart, DeMaria, et al., 1958 | RDSH |
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 | 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
m | Medium |
s | Strong |
H | (1/2)(2ν) |
o | Energy 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
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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