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, 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 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry 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, 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]
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, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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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