Dichlorosilylene

Formula: Cl₂Si
Molecular weight: 98.992
CAS Registry Number: 13569-32-9
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-168.62	kJ/mol	Review	Chase, 1998	Data last reviewed in December, 1977
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	281.30	J/mol*K	Review	Chase, 1998	Data last reviewed in December, 1977

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
C_p = 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 6000.
A	57.28398
B	0.996667
C	-0.413240
D	0.063232
E	-0.571313
F	-187.6511
G	347.1335
H	-168.6152
Reference	Chase, 1998
Comment	Data last reviewed in December, 1977

Reaction thermochemistry data

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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
Δ_rH°	225. ± 14.	kJ/mol	CIDT	Poutsma, Schroeder, et al., 2004	gas phase

Gas phase ion energetics data

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Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

View reactions leading to Cl₂Si⁺ (ion structure unspecified)

Electron affinity determinations

EA (eV)	Method	Reference	Comment
0.77 ± 0.13	EIAE	Pabst, Margrave, et al., 1977	From SiCl₄; G3MP2B3 calculations indicate an EA of ca. 1.2 eV; B
>2.51512	EIAE	Jaeger and Henglein, 1968	From SiCl₄; G3MP2B3 calculations indicate an EA of ca. 1.2 eV; B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.93 ± 0.10	EI	Ihle, Wu, et al., 1978	LLK
10.35	PE	Bock, Solouki, et al., 1985	Vertical value; LBLHLM
10.35	PE	Bock, Solouki, et al., 1985	Vertical value; LBLHLM

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
ClSi⁺	12.50 ± 0.10	Cl	EI	Ihle, Wu, et al., 1978	LLK

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: A

Energy (cm^-1)		Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 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
T_x = 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	λ_min (nm)	λ_max (nm)	References


T_o = 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

Strong

Very strong

Tentative assignment or approximate value

Energy separation between the v = 0 levels of the excited and electronic ground states.

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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

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]

Pabst, Margrave, et al., 1977
Pabst, R.E.; Margrave, J.L.; Franklin, J.L., Electron impact studies of the tetrachlorides and tetrabromides of silicon and germanium, Int. J. Mass Spectrom. Ion Phys., 1977, 25, 361. [all data]

Jaeger and Henglein, 1968
Jaeger, K.; Henglein, A., Die Bildung negativer Ionen aus SiCl₄ und organischen Siliciumchloriden durch Elektronenstoss, Z. Naturfor., 1968, 23A, 1122. [all data]

Ihle, Wu, et al., 1978
Ihle, H.R.; Wu, C.H.; Miletic, M.; Zmbov, K.F., Mass spectrometric studies of gas species in the systems Si-Cl and Si-Li, Adv. Mass Spectrom., 1978, 7, 670. [all data]

Bock, Solouki, et al., 1985
Bock, H.; Solouki, B.; Maier, G., SiCl₂: Photoelektronenspektroskopische Optimierung verschiedener Synthesen, Angew. Chem., 1985, 97, 205. [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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

Symbols used in this document:

AE	Appearance energy
EA	Electron affinity
S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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