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Gas phase thermochemistry data

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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
Δfgas635.97kJ/molReviewChase, 1998Data last reviewed in March, 1967
Quantity Value Units Method Reference Comment
gas,1 bar267.87J/mol*KReviewChase, 1998Data 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. - 6000.
A 62.88678
B -2.292034
C 1.518324
D -0.155889
E -0.664449
F 615.0815
G 340.8504
H 635.9680
ReferenceChase, 1998
Comment 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:   G


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 25753 ± 13 T Ne G-X 330 390 Fulara, Freivogel, et al., 1996


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 350 T Ne AB Fulara, Freivogel, et al., 1996

State:   F


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 19146 ± 7 Ne F-X 430 540 Fulara, Freivogel, et al., 1996


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 360 T Ne AB Fulara, Freivogel, et al., 1996

State:   E


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 17250 ± 6 Ne E-X 530 580 Weltner and McLeod, 1964
Fulara, Freivogel, et al., 1996


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 2 Bend 250 T Ne AB Fulara, Freivogel, et al., 1996

State:   C


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 14200 ± 160 gas Kitsopoulos, Chick, et al., 1990
Xu, Taylor, et al., 1998
To = 12839 ± 3 Ne C-X 700 780 Fulara, Freivogel, et al., 1996


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 480 ± 40 gas PE Kitsopoulos, Chick, et al., 1990
1 Sym. stretch 470 T Ne AB Fulara, Freivogel, et al., 1996

State:   B


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 11549 ± 160 gas Xu, Taylor, et al., 1998


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 480 ± 20 gas PE Xu, Taylor, et al., 1998
2 Bend 260 ± 20 gas PE Xu, Taylor, et al., 1998

State:   c


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 8880 ± 80 gas Kitsopoulos, Chick, et al., 1990
Xu, Taylor, et al., 1998


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 480 ± 20 gas PE Xu, Taylor, et al., 1998
2 Bend 260 ± 20 gas PE Xu, Taylor, et al., 1998

State:   b


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 7180 ± 80 gas Kitsopoulos, Chick, et al., 1990
Xu, Taylor, et al., 1998


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 500 ± 20 gas PE Xu, Taylor, et al., 1998

State:   A


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 3630 ± 80 gas Kitsopoulos, Chick, et al., 1990
Winstead, He, et al., 1991
Xu, Taylor, et al., 1998


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

1 Sym. stretch 480 ± 25 gas PE EM Kitsopoulos, Chick, et al., 1990
Winstead, He, et al., 1991

State:   a


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 350 U gas Arnold and Neumark, 1994


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1' 1 Sym. stretch 501 ± 10 gas TPE Arnold and Neumark, 1994
e' 2 Deformation 337 ± 10 gas EM TPE Kitsopoulos, Chick, et al., 1990
Winstead, He, et al., 1991
Arnold and Neumark, 1994

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 550 T Ne IR Li, Van Zee, et al., 1995
1 Sym. stretch 550.6 Ar IR Li, Van Zee, et al., 1995
1 Sym. stretch 546.7 Kr IR Li, Van Zee, et al., 1995
2 Bend 178 ± 11 gas MW McCarthy and Thaddeus, 2003
b2 3 Asym. stretch 525.5 Ne IR Li, Van Zee, et al., 1995
3 Asym. stretch 525.1 Ar IR Li, Van Zee, et al., 1995
3 Asym. stretch 523.1 Kr IR Li, Van Zee, et al., 1995

Additional references: Jacox, 1994, page 67; Jacox, 1998, page 170; Jacox, 2003, page 83; McCarthy and Thaddeus, 2003, 2

Notes

UUpper bound
TTentative assignment or approximate value
oEnergy 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]

Fulara, Freivogel, et al., 1996
Fulara, J.; Freivogel, P.; Grutter, M.; Maier, J.P., Electronic Absorption Spectra of Si, J. Phys. Chem., 1996, 100, 46, 18042, https://doi.org/10.1021/jp962575h . [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]

Kitsopoulos, Chick, et al., 1990
Kitsopoulos, T.N.; Chick, C.J.; Weaver, A.; Neumark, D.M., Vibrationally Resolved Photoelectron Spectra of Si-3- and Si-4-, J. Chem. Phys., 1990, 93, 8, 6108, https://doi.org/10.1063/1.459004 . [all data]

Xu, Taylor, et al., 1998
Xu, C.; Taylor, T.R.; Burton, G.R.; Neumark, D.M., Vibrationally resolved photoelectron spectroscopy of silicon cluster anions Si[sub n][sup -] (n=3--7), J. Chem. Phys., 1998, 108, 4, 1395, https://doi.org/10.1063/1.475511 . [all data]

Winstead, He, et al., 1991
Winstead, C.B.; He, K.X.; Grantier, D.; Hammond, T.; Gole, J.L., Electric-field-enhanced laser-induced plasma spectroscopy of jet-cooled silicon trimer, Chem. Phys. Lett., 1991, 181, 2-3, 222, https://doi.org/10.1016/0009-2614(91)90358-G . [all data]

Arnold and Neumark, 1994
Arnold, C.C.; Neumark, D.M., Threshold Photodetachment Zero-Electron Kinetic Energy Spectroscopy of Si-3(-), J. Chem. Phys., 1994, 100, 3, 1797, https://doi.org/10.1063/1.466532 . [all data]

Li, Van Zee, et al., 1995
Li, S.; Van Zee, R.J.; Weltner, W., Jr.; Raghavachari, K., Si3«58872»Si7. Experimental and theoretical infrared spectra, Chem. Phys. Lett., 1995, 243, 3-4, 275, https://doi.org/10.1016/0009-2614(95)00836-S . [all data]

McCarthy and Thaddeus, 2003
McCarthy, M.; Thaddeus, P., Rotational Spectrum and Structure of Si3, Phys. Rev. Lett., 2003, 90, 21, 213003, https://doi.org/10.1103/PhysRevLett.90.213003 . [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]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

McCarthy and Thaddeus, 2003, 2
McCarthy, M.; Thaddeus, P., The Radio Spectrum of Si, Astrophys. J. Lett., 2003, 592, 2, L91, https://doi.org/10.1086/375728 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References