Silane


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
Δfgas8.200kcal/molReviewChase, 1998Data last reviewed in June, 1976
Quantity Value Units Method Reference Comment
gas,1 bar48.913cal/mol*KReviewChase, 1998Data last reviewed in June, 1976

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 1300.1300. to 6000.
A 1.44842023.86460
B 33.452011.016141
C -18.61490-0.193420
D 3.8816810.012772
E 0.032387-4.873339
F 6.546561-9.689331
G 41.6670963.76709
H 8.2000608.200060
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1976 Data last reviewed in June, 1976

Reaction 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.

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

H3Si- + Hydrogen cation = Silane

By formula: H3Si- + H+ = H4Si

Quantity Value Units Method Reference Comment
Δr373.9 ± 2.1kcal/molG+TSGal, Decouzon, et al., 2001gas phase
Δr372.9 ± 2.1kcal/molG+TSWetzel, Salomon, et al., 1989gas phase; value altered from reference due to change in acidity scale
Δr372.80 ± 0.84kcal/molD-EANimlos and Ellison, 1986gas phase
Δr372.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Δr373.90kcal/molN/ACheck, Faust, et al., 2001gas phase; MnS-(t); ; ΔS(EA)=5.7
Quantity Value Units Method Reference Comment
Δr365.7 ± 2.0kcal/molIMREGal, Decouzon, et al., 2001gas phase
Δr364.7 ± 2.0kcal/molIMREWetzel, Salomon, et al., 1989gas phase; value altered from reference due to change in acidity scale
Δr364.58 ± 0.94kcal/molH-TSNimlos and Ellison, 1986gas phase
Δr363.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Δr366.40kcal/molN/ACheck, Faust, et al., 2001gas phase; MnS-(t); ; ΔS(EA)=5.7

Hydrogen anion + Silane = (Hydrogen anion • Silane)

By formula: H- + H4Si = (H- • H4Si)

Quantity Value Units Method Reference Comment
Δr19.0 ± 4.0kcal/molIMRBHajdasz, Ho, et al., 1994gas phase
Δr22.5 ± 4.5kcal/molIMREHajdasz and Squires, 1986gas phase; QCISD Calculation: H-A = 20.2, 99MOC
Quantity Value Units Method Reference Comment
Δr11.6 ± 4.1kcal/molIMRBHajdasz, Ho, et al., 1994gas phase

Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Takehiko Shimanouchi

Symmetry:   Td     Symmetry Number σ = 12


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 2187  B  ia 2187.0 S gas
e 2 Deg deform 975  C 974.6 ia gas 978 W gas observed through Coriolis interaction with ν4
f2 3 Deg str 2191  A 2190.6 gas
f2 4 Deg deform 914  B 914.2 gas

Source: Shimanouchi, 1972

Notes

SStrong
WWeak
iaInactive
A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty

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]

Gal, Decouzon, et al., 2001
Gal, J.F.; Decouzon, M.; Maria, P.C.; Gonzalez, A.I.; Mo, O.; Yanez, M.; El Chaouch, S.; Guillemin, J.C., Acidity trends in alpha,beta-unsaturated alkanes, silanes, germanes, and stannanes, J. Am. Chem. Soc., 2001, 123, 26, 6353-6359, https://doi.org/10.1021/ja004079j . [all data]

Wetzel, Salomon, et al., 1989
Wetzel, D.M.; Salomon, K.E.; Berger, S.; Brauman, J.I., Gas-Phase Acidities of Organosilanes and Electron Affinities of Organosilyl Radicals, J. Am. Chem. Soc., 1989, 111, 11, 3835, https://doi.org/10.1021/ja00193a013 . [all data]

Nimlos and Ellison, 1986
Nimlos, M.R.; Ellison, G.B., Photoelectron spectroscopy of SiH3- and SiD3-, J. Am. Chem. Soc., 1986, 108, 6522. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S., Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements, J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l . [all data]

Hajdasz, Ho, et al., 1994
Hajdasz, D.J.; Ho, Y.; Squires, R.R., Gas-Phase Chemistry of Pentacoordinate Silicon Hydrides, J. Am. Chem. Soc., 1994, 116, 23, 10751, https://doi.org/10.1021/ja00102a045 . [all data]

Hajdasz and Squires, 1986
Hajdasz, D.J.; Squires, R.R., Hypervalent silicon hydrides: SiH5-, J. Am. Chem. Soc., 1986, 108, 3139. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

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