Dichlorosilylene
- Formula: Cl2Si
- Molecular weight: 98.992
- CAS Registry Number: 13569-32-9
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Gas phase thermochemistry data
Go To: Top, Reaction 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -40.301 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 67.232 | cal/mol*K | Review | Chase, 1998 | Data 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 (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. to 6000. |
---|---|
A | 13.69120 |
B | 0.238209 |
C | -0.098767 |
D | 0.015113 |
E | -0.136547 |
F | -44.84969 |
G | 82.96690 |
H | -40.30000 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1977 |
Reaction thermochemistry 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 by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
(CAS Reg. No. 27121-81-9 • 4294967295Cl2Si) + Cl2Si = CAS Reg. No. 27121-81-9
By formula: (CAS Reg. No. 27121-81-9 • 4294967295Cl2Si) + Cl2Si = CAS Reg. No. 27121-81-9
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 53.7 ± 3.3 | kcal/mol | CIDT | Poutsma, Schroeder, et al., 2004 | gas phase |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Reaction 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 = 30013.5 ± 0.2 | gas | A-X | 295 | 430 | Ruzsicska, Jodhan, et al., 1985 | ||
Sausa and Ronn, 1985 | |||||||
Washida, Matsumi, et al., 1985 | |||||||
Sameith, Monch, et al., 1986 | |||||||
Suzuki, Washida, et al., 1986 | |||||||
Meijer, Heinze, et al., 1989 | |||||||
Karolczak and Clouthier, 1993 | |||||||
Tx = 31700 | T | Ar | A-X | 310 | 320 | Milligan and Jacox, 1968 | |
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | Sym. stretch | 428.9 | gas | LF | Suzuki, Washida, et al., 1986 Karolczak and Clouthier, 1993 | |
2 | Bend | 149.8 | gas | UV LF | Hargittai, Schultz, et al., 1983 Sameith, Monch, et al., 1986 Suzuki, Washida, et al., 1986 Karolczak and Clouthier, 1993 | ||
State: a
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 18943 | T | gas | a-X | 500 | 650 | Sekiya, Nishimura, et al., 1991 | |
Du, Chen, et al., 1991 | |||||||
Ibuki, Kono, et al., 1997 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 2 | Bend | 159 ± 2 | gas | EM | Sekiya, Nishimura, et al., 1991 Du, Chen, et al., 1991 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | Sym. stretch | 521.6 | gas | LF | Karolczak and Clouthier, 1993 | |
1 | Sym. stretch | 518.7 | Ne | IR | Maass, Hauge, et al., 1972 | ||
1 | Sym. stretch | 512.5 | s | Ar | IR | Milligan and Jacox, 1968 Maass, Hauge, et al., 1972 | |
2 | Bend | 200.6 | gas | EM LF | Sameith, Monch, et al., 1986 Suzuki, Washida, et al., 1986 Sekiya, Nishimura, et al., 1991 Du, Chen, et al., 1991 Karolczak and Clouthier, 1993 | ||
2 | Bend | 202.2 | Ar | IR | Maass, Hauge, et al., 1972 | ||
b2 | 3 | Asym. stretch | 509.4 | Ne | IR | Maass, Hauge, et al., 1972 | |
3 | Asym. stretch | 502 | vs | Ar | IR | Milligan and Jacox, 1968 Maass, Hauge, et al., 1972 | |
Additional references: Jacox, 1994, page 101; Jacox, 1998, page 197; Tanimoto, Takeo, et al., 1989; Fujitake and Hirota, 1994
Notes
s | Strong |
vs | Very strong |
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
x | Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state. |
References
Go To: Top, Gas phase thermochemistry data, Reaction 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]
Poutsma, Schroeder, et al., 2004
Poutsma, J.C.; Schroeder, O.E.; Squires, R.R.,
Experimental chloride ion affinities and theoretical predictions for the absolute heats of formation of SiCl2 and SiClF,
Chem. Phys. Lett., 2004, 389, 4-6, 433-437, https://doi.org/10.1016/j.cplett.2004.03.137
. [all data]
Ruzsicska, Jodhan, et al., 1985
Ruzsicska, B.P.; Jodhan, A.; Safarik, I.; Strausz, O.P.; Bell, T.N.,
Dichlorosilylene. The UV spectrum,
Chem. Phys. Lett., 1985, 113, 1, 67, https://doi.org/10.1016/0009-2614(85)85012-0
. [all data]
Sausa and Ronn, 1985
Sausa, R.C.; Ronn, A.M.,
Infrared multiple photon dissociation of dichlorosilane: The production of electronically excited SiCl2,
Chem. Phys., 1985, 96, 1, 183, https://doi.org/10.1016/0301-0104(85)80203-2
. [all data]
Washida, Matsumi, et al., 1985
Washida, N.; Matsumi, Y.; Hayashi, T.; Ibuki, T.; Hiraya, A.; Shobatake, K.,
Emission spectra of SiH(A 2Δ→X 2Π) and SiCl2(A 1B1→X 1A1) in the VUV photolyses of silane and chlorinated silanes,
J. Chem. Phys., 1985, 83, 6, 2769, https://doi.org/10.1063/1.449227
. [all data]
Sameith, Monch, et al., 1986
Sameith, D.; Monch, J.P.; Tiller, H.-J.; Schade, K.,
Vibrational analysis of the UV emission spectrum of dichlorosilyl, SiCl2,
Chem. Phys. Lett., 1986, 128, 5-6, 483, https://doi.org/10.1016/0009-2614(86)80658-3
. [all data]
Suzuki, Washida, et al., 1986
Suzuki, M.; Washida, N.; Inoue, G.,
Laser-induced fluorescence of the SiCl2 radical,
Chem. Phys. Lett., 1986, 131, 1-2, 24, https://doi.org/10.1016/0009-2614(86)80511-5
. [all data]
Meijer, Heinze, et al., 1989
Meijer, G.; Heinze, J.; Meerts, W.L.; ter Meulen, J.J.; Hougen, J.T.,
High-resolution spectroscopy on the transition in SiCl2,
J. Mol. Spectrosc., 1989, 138, 1, 251, https://doi.org/10.1016/0022-2852(89)90115-X
. [all data]
Karolczak and Clouthier, 1993
Karolczak, J.; Clouthier, D.J.,
Pyrolysis jet spectroscopy of dichlorosilylene,
Chem. Phys. Lett., 1993, 201, 5-6, 409, https://doi.org/10.1016/0009-2614(93)85093-4
. [all data]
Milligan and Jacox, 1968
Milligan, D.E.; Jacox, M.E.,
Matrix-Isolation Study of the Vacuum--Ultraviolet Photolysis of Dischlorosilane. The Infrared Spectrum of the Free Radical SiCl2,
J. Chem. Phys., 1968, 49, 4, 1938, https://doi.org/10.1063/1.1670330
. [all data]
Hargittai, Schultz, et al., 1983
Hargittai, I.; Schultz, G.; Tremmel, J.; Kagramanov, N.D.; Maltsev, A.K.; Nefedov, O.M.,
Molecular structure of silicon dichloride and silicon dibromide from electron diffraction combined with mass spectrometry,
J. Am. Chem. Soc., 1983, 105, 9, 2895, https://doi.org/10.1021/ja00347a061
. [all data]
Sekiya, Nishimura, et al., 1991
Sekiya, H.; Nishimura, Y.; Tsuji, M.,
New electronic emission from SiCl2,
Chem. Phys. Lett., 1991, 176, 5, 477, https://doi.org/10.1016/0009-2614(91)90240-A
. [all data]
Du, Chen, et al., 1991
Du, K.; Chen, X.; Setser, D.W.,
Identification of the SiCl2 (ã 3B1-X 1A1) emission system and a flow reactor source of SiCl2(ã 3B1),
Chem. Phys. Lett., 1991, 181, 4, 344, https://doi.org/10.1016/0009-2614(91)80082-9
. [all data]
Ibuki, Kono, et al., 1997
Ibuki, T.; Kono, M.; Asari, Y.; Hiraya, A.; Shobatake, K.,
Photoabsorption and fluorescence cross sections of SiCl[sub 4] in the region of 6.2--31 eV,
J. Chem. Phys., 1997, 106, 12, 4853, https://doi.org/10.1063/1.473534
. [all data]
Maass, Hauge, et al., 1972
Maass, G.; Hauge, R.H.; Margrave, J.L.,
The I.R. Spectra of Matrix-isolated SiBr2 and SiCl2,
Z. Anorg. Allg. Chem., 1972, 392, 3, 295, https://doi.org/10.1002/zaac.19723920314
. [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]
Tanimoto, Takeo, et al., 1989
Tanimoto, M.; Takeo, H.; Matsumura, C.; Fujitake, M.; Hirota, E.,
Microwave spectroscopic detection of dichlorosilylene SiCl2 in the ground state,
J. Chem. Phys., 1989, 91, 4, 2102, https://doi.org/10.1063/1.457070
. [all data]
Fujitake and Hirota, 1994
Fujitake, M.; Hirota, E.,
Spectrochim. Acta, 1994, 50A, 1345. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction 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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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