Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.

Dichlorosilylene


Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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
Deltafgas-40.301kcal/molReviewChase, 1998Data last reviewed in December, 1977
Quantity Value Units Method Reference Comment
gas,1 bar67.232cal/mol*KReviewChase, 1998Data 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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. - 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
ReferenceChase, 1998
Comment Data last reviewed in December, 1977

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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 bullet 4294967295Cl2Si) + Cl2Si = CAS Reg. No. 27121-81-9

By formula: (CAS Reg. No. 27121-81-9 bullet 4294967295Cl2Si) + Cl2Si = CAS Reg. No. 27121-81-9

Quantity Value Units Method Reference Comment
Deltar53.7 ± 3.3kcal/molCIDTPoutsma, Schroeder, et al., 2004gas phase

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, NIST Free Links, 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:
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 ± 0.13EIAEPabst, Margrave, et al., 1977From SiCl4; G3MP2B3 calculations indicate an EA of ca. 1.2 eV; B
>2.51512EIAEJaeger and Henglein, 1968From SiCl4; G3MP2B3 calculations indicate an EA of ca. 1.2 eV; B

Ionization energy determinations

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

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
ClSi+12.50 ± 0.10ClEIIhle, Wu, et al., 1978LLK

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, 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 = 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   «lambda»min 
 (nm) 
 «lambda»max 
 (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

sStrong
vsVery strong
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy 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, NIST Free Links, 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]

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 2«DELTA»-->X 2«PI») 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, NIST Free Links, References