Selected ATcT [1, 2] enthalpy of formation based on version 1.122x of the Thermochemical Network [3]

This version of ATcT results was generated from an expansion of version 1.122v [4] to include species relevant to the study of bond dissociation enthalpies of representative aromatic aldehydes [5].

Species Name Formula Image    ΔfH°(0 K)    ΔfH°(298.15 K) Uncertainty Units Relative
Molecular
Mass		 ATcT ID
SilylSiH3 (g)[SiH3]204.09198.61± 0.90kJ/mol31.10932 ±
0.00037		13765-44-1*0

Representative Geometry of SiH3 (g)

spin ON           spin OFF
          

Top contributors to the provenance of ΔfH° of SiH3 (g)

The 20 contributors listed below account only for 49.6% of the provenance of ΔfH° of SiH3 (g).
A total of 100 contributors would be needed to account for 90% of the provenance.

Please note: The list is limited to 20 most important contributors or, if less, a number sufficient to account for 90% of the provenance. The Reference acts as a further link to the relevant references and notes for the measurement. The Measured Quantity is normaly given in the original units; in cases where we have reinterpreted the original measurement, the listed value may differ from that given by the authors. The quoted uncertainty is the a priori uncertainty used as input when constructing the initial Thermochemical Network, and corresponds either to the value proposed by the original authors or to our estimate; if an additional multiplier is given in parentheses immediately after the prior uncertainty, it corresponds to the factor by which the prior uncertainty needed to be multiplied during the ATcT analysis in order to make that particular measurement consistent with the prevailing knowledge contained in the Thermochemical Network.

Contribution
(%)		TN
ID		 Reaction Measured Quantity Reference
4.76935.5 SiH3 (g) → Si (g) + 3 H (g) ΔrH°(0 K) = 214.2 ± 0.5 (×1.189) kcal/molFeller 1999a
4.66940.5 SiH4 (g) → SiH3 (g) + H (g) ΔrH°(0 K) = 90.2 ± 0.5 kcal/molFeller 1999a
4.46924.8 SiF4 (g) → Si (g) + 4 F (g) ΔrH°(0 K) = 565.92 ± 0.30 kcal/molKarton 2011
3.76933.1 SiH4 (g) → Si (cr,l) + 2 H2 (g) ΔrH°(298.15 K) = -8.3 ± 0.5 (×1.091) kcal/molGunn 1961, Gurvich TPIS, est unc
3.26927.3 Si (cr,l) + 2 F2 (g) → SiF4 (g) ΔrH°(298.15 K) = -1615.78 ± 0.46 kJ/molJohnson 1986
3.06871.2 Si (cr,l) → Si (g) ΔrG°(1525 K) = 231.1 ± 2.0 kJ/molBatdorf 1959, 3rd Law
2.86968.1 SiH3SiH3 (g) → 2 Si (cr,l) + 3 H2 (g) ΔrH°(298.15 K) = -19.1 ± 0.6 (×2.044) kcal/molGunn 1961, est unc
2.56924.7 SiF4 (g) → Si (g) + 4 F (g) ΔrH°(0 K) = 566.39 ± 0.40 kcal/molKarton 2011
2.16970.4 SiH3SiH3 (g) → 2 SiH3 (g) ΔrH°(0 K) = 75.54 ± 1.50 kcal/molRuscic W1RO
2.06924.10 SiF4 (g) → Si (g) + 4 F (g) ΔrH°(0 K) = 565.89 ± 0.44 kcal/molMartin 1999d, note unc
1.96970.2 SiH3SiH3 (g) → 2 SiH3 (g) ΔrH°(0 K) = 75.37 ± 1.60 kcal/molRuscic G4
1.86871.3 Si (cr,l) → Si (g) ΔrH°(1932 K) = 393.1 ± 2.5 (×1.044) kJ/molDrowart 1960, 2nd Law, Gurvich TPIS
1.76905.6 SiO2 (cr,l) + Si (cr,l) → 2 SiO (g) ΔrG°(1618 K) = 37.94 ± 0.29 (×1.576) kcal/molRamstad 1961, 3rd Law, Gurvich TPIS
1.66965.7 SiH3SiH3 (g) → 2 Si (g) + 6 H (g) ΔrH°(0 K) = 503.09 ± 0.30 kcal/molKarton 2011, Karton 2007b
1.66970.1 SiH3SiH3 (g) → 2 SiH3 (g) ΔrH°(0 K) = 74.95 ± 1.72 kcal/molRuscic G3X
1.66964.5 SiH3 (g) → [SiH]+ (g) + H2 (g) ΔrH°(0 K) = 9.655 ± 0.040 eVRuscic W1RO
1.46905.8 SiO2 (cr,l) + Si (cr,l) → 2 SiO (g) ΔrG°(1403 K) = 54.5 ± 0.5 kcal/molEmons 1972, 3rd Law
1.46941.4 SiH4 (g) + CH3 (g) → SiH3 (g) + CH4 (g) ΔrH°(0 K) = -12.76 ± 0.9 kcal/molRuscic W1RO
1.46941.5 SiH4 (g) + CH3 (g) → SiH3 (g) + CH4 (g) ΔrH°(0 K) = -13.23 ± 0.90 kcal/molGrev 1992
1.26984.4 SiH3SiH2 (g) + SiH3 (g) → SiH3SiH3 (g) + SiH2 (g, singlet) ΔrH°(0 K) = -19.81 ± 1.2 kcal/molRuscic W1RO

Top 10 species with enthalpies of formation correlated to the ΔfH° of SiH3 (g)

Please note: The correlation coefficients are obtained by renormalizing the off-diagonal elements of the covariance matrix by the corresponding variances.
The correlation coefficient is a number from -1 to 1, with 1 representing perfectly correlated species, -1 representing perfectly anti-correlated species, and 0 representing perfectly uncorrelated species.

Correlation
Coefficent
(%)		Species Name Formula Image    ΔfH°(0 K)    ΔfH°(298.15 K) Uncertainty Units Relative
Molecular
Mass		 ATcT ID
90.3 Silylium[SiH3]+ (g)[SiH3+]989.05983.47± 0.98kJ/mol31.10877 ±
0.00037		41753-67-7*0
67.5 SilaneSiH4 (g)[SiH4]42.1132.50± 0.66kJ/mol32.11726 ±
0.00041		7803-62-5*0
65.9 DisilaneSiH3SiH3 (g)[SiH3][SiH3]90.974.8± 1.4kJ/mol62.21864 ±
0.00073		1590-87-0*0
65.8 DisilanylSiH3SiH2 (g)[SiH3][SiH2]241.3229.3± 1.6kJ/mol61.21070 ±
0.00069		73151-72-1*0
61.5 Silicon atom dication[Si]+2 (g)[Si++]2813.392816.37± 0.57kJ/mol28.08440 ±
0.00030		14175-55-4*0
61.5 Silicon cationSi+ (g)[Si+]1236.251240.38± 0.57kJ/mol28.08495 ±
0.00030		14067-07-3*0
61.5 Silicon anionSi- (g)[Si-]315.67318.65± 0.57kJ/mol28.08605 ±
0.00030		14337-02-1*0
61.5 SiliconSi (g)[Si]449.73454.07± 0.57kJ/mol28.08550 ±
0.00030		7440-21-3*0
61.5 Silicon atom trication[Si]+3 (g)[Si+3]6044.976047.95± 0.57kJ/mol28.08385 ±
0.00030		14175-56-5*0
61.5 Silicon atom tetracation[Si]+4 (g)[Si+4]10400.4910403.47± 0.57kJ/mol28.08331 ±
0.00030		22537-24-2*0

Most Influential reactions involving SiH3 (g)

Please note: The list, which is based on a hat (projection) matrix analysis, is limited to no more than 20 largest influences.

Influence
Coefficient		 TN
ID		 Reaction Measured Quantity Reference
0.7556936.1 SiH3 (g) → [SiH3]+ (g) ΔrH°(0 K) = 8.135 ± 0.005 eVJohnson 1989
0.6596937.1 [SiH3]- (g) → SiH3 (g) ΔrH°(0 K) = 1.406 ± 0.014 eVNimlos 1986a, Nimlos 1986b
0.2047073.4 SiH(CH3)3 (g) + SiH3 (g) → Si(CH3)3 (g) + SiH4 (g) ΔrH°(0 K) = 2.72 ± 0.9 kcal/molRuscic W1RO
0.1886936.2 SiH3 (g) → [SiH3]+ (g) ΔrH°(0 K) = 8.14 ± 0.01 eVDyke 1983a
0.1657073.2 SiH(CH3)3 (g) + SiH3 (g) → Si(CH3)3 (g) + SiH4 (g) ΔrH°(0 K) = 1.83 ± 1.0 kcal/molRuscic G4
0.1417016.4 SiH3SiH (g, singlet) + 2 SiH2 (g, singlet) → SiH2SiH2 (g, singlet) + SiH3 (g) + SiH (g) ΔrH°(0 K) = 1.09 ± 0.90 kcal/molRuscic W1RO
0.1367073.1 SiH(CH3)3 (g) + SiH3 (g) → Si(CH3)3 (g) + SiH4 (g) ΔrH°(0 K) = 2.82 ± 1.1 kcal/molRuscic G3X
0.1357097.4 SiH3OH (g) + SiH3 (g) → SiH2OH (g) + SiH4 (g) ΔrH°(0 K) = 1.25 ± 0.9 kcal/molRuscic W1RO
0.1147016.2 SiH3SiH (g, singlet) + 2 SiH2 (g, singlet) → SiH2SiH2 (g, singlet) + SiH3 (g) + SiH (g) ΔrH°(0 K) = 1.60 ± 1.00 kcal/molRuscic G4
0.1097097.2 SiH3OH (g) + SiH3 (g) → SiH2OH (g) + SiH4 (g) ΔrH°(0 K) = 0.84 ± 1.0 kcal/molRuscic G4
0.0996940.5 SiH4 (g) → SiH3 (g) + H (g) ΔrH°(0 K) = 90.2 ± 0.5 kcal/molFeller 1999a
0.0977073.3 SiH(CH3)3 (g) + SiH3 (g) → Si(CH3)3 (g) + SiH4 (g) ΔrH°(0 K) = 2.32 ± 1.3 kcal/molRuscic CBS-n
0.0947016.1 SiH3SiH (g, singlet) + 2 SiH2 (g, singlet) → SiH2SiH2 (g, singlet) + SiH3 (g) + SiH (g) ΔrH°(0 K) = 1.20 ± 1.10 kcal/molRuscic G3X
0.0907097.1 SiH3OH (g) + SiH3 (g) → SiH2OH (g) + SiH4 (g) ΔrH°(0 K) = 1.18 ± 1.1 kcal/molRuscic G3X
0.0846964.5 SiH3 (g) → [SiH]+ (g) + H2 (g) ΔrH°(0 K) = 9.655 ± 0.040 eVRuscic W1RO
0.0806935.5 SiH3 (g) → Si (g) + 3 H (g) ΔrH°(0 K) = 214.2 ± 0.5 (×1.189) kcal/molFeller 1999a
0.0776983.4 SiH3SiH3 (g) + SiH3 (g) + CH3CH2 (g) + CH4 (g) → SiH3SiH2 (g) + SiH4 (g) + CH3CH3 (g) + CH3 (g) ΔrH°(0 K) = 0.95 ± 0.85 kcal/molRuscic W1RO
0.0696983.1 SiH3SiH3 (g) + SiH3 (g) + CH3CH2 (g) + CH4 (g) → SiH3SiH2 (g) + SiH4 (g) + CH3CH3 (g) + CH3 (g) ΔrH°(0 K) = 0.69 ± 0.90 kcal/molRuscic G3X
0.0696983.2 SiH3SiH3 (g) + SiH3 (g) + CH3CH2 (g) + CH4 (g) → SiH3SiH2 (g) + SiH4 (g) + CH3CH3 (g) + CH3 (g) ΔrH°(0 K) = 0.84 ± 0.90 kcal/molRuscic G4
0.0686982.4 SiH3SiH3 (g) + SiH3 (g) → SiH3SiH2 (g) + SiH4 (g) ΔrH°(0 K) = -2.84 ± 0.9 kcal/molRuscic W1RO
References
1   B. Ruscic, R. E. Pinzon, M. L. Morton, G. von Laszewski, S. Bittner, S. G. Nijsure, K. A. Amin, M. Minkoff, and A. F. Wagner,
Introduction to Active Thermochemical Tables: Several "Key" Enthalpies of Formation Revisited.
J. Phys. Chem. A 108, 9979-9997 (2004) [DOI: 10.1021/jp047912y]
2   B. Ruscic, R. E. Pinzon, G. von Laszewski, D. Kodeboyina, A. Burcat, D. Leahy, D. Montoya, and A. F. Wagner,
Active Thermochemical Tables: Thermochemistry for the 21st Century.
J. Phys. Conf. Ser. 16, 561-570 (2005) [DOI: 10.1088/1742-6596/16/1/078]
3   B. Ruscic and D. H. Bross,
Active Thermochemical Tables (ATcT) values based on ver. 1.122x of the Thermochemical Network, Argonne National Laboratory, Lemont, Illinois 2022; available at ATcT.anl.gov
[DOI: 10.17038/CSE/1885922]
4   D. P. Zaleski, R. Sivaramakrishnan, H. R. Weller, N. A Seifert, D. H. Bross, B. Ruscic, K. B. Moore III, S. N. Elliott, A. V. Copan, L. B. Harding, S. J. Klippenstein, R. W. Field, and K. Prozument,
Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm.
J. Am. Chem. Soc. 143, 3124-3152 (2021) [DOI: 10.1021/jacs.0c11677]
5   Y. Ren, L. Zhou, A. Mellouki, V. Daële, M. Idir, S. S. Brown, B. Ruscic, Robert S. Paton, M. R. McGillen, and A. R. Ravishankara,
Reactions of NO3 with Aromatic Aldehydes: Gas-Phase Kinetics and Insights into the Mechanism of the Reaction.
Atmos. Chem. Phys. 21, 13537-13551 (2021) [DOI: 10.5194/acp2021-228]
6   B. Ruscic,
Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables.
Int. J. Quantum Chem. 114, 1097-1101 (2014) [DOI: 10.1002/qua.24605]
7   B. Ruscic and D. H. Bross,
Thermochemistry
Computer Aided Chem. Eng. 45, 3-114 (2019) [DOI: 10.1016/B978-0-444-64087-1.00001-2]
Formula
The aggregate state is given in parentheses following the formula, such as: g - gas-phase, cr - crystal, l - liquid, etc.
Uncertainties
The listed uncertainties correspond to estimated 95% confidence limits, as customary in thermochemistry (see, for example, Ruscic [6,7]).
Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.0005 kJ/mol.
Website Functionality Credits
The reorganization of the website was developed and implemented by David H. Bross (ANL).
The find function is based on the complete Species Dictionary entries for the appropriate version of the ATcT TN.
The molecule images are rendered by Indigo-depict.
The XYZ renderings are based on Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/.
Acknowledgement
This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357.