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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.

Quantity Value Units Method Reference Comment
Deltafgas450. ± 8.kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafgas450.00kJ/molReviewChase, 1998Data last reviewed in March, 1967
Quantity Value Units Method Reference Comment
gas,1 bar167.981 ± 0.004J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar167.98J/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) 3504.616 - 6000.
A 14.59321
B 5.224644
C -1.078879
D 0.074000
E 2.309405
F 450.3365
G 190.2494
H 450.0018
ReferenceChase, 1998
Comment Data last reviewed in March, 1967

Condensed 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
Deltafliquid48.47kJ/molReviewChase, 1998Data last reviewed in March, 1967
Quantity Value Units Method Reference Comment
liquid,1 bar44.46J/mol*KReviewChase, 1998Data last reviewed in March, 1967
Quantity Value Units Method Reference Comment
solid,1 bar18.81 ± 0.08J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
Quantity Value Units Method Reference Comment
solid18.82J/mol*KReviewChase, 1998Data last reviewed in March, 1967

Liquid 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) 1685. - 3504.616
A 27.19604
B -1.198306×10-10
C 5.353262×10-11
D -6.956612×10-12
E -4.294375×10-12
F 40.36163
G 77.37178
H 48.46997
ReferenceChase, 1998
Comment Data last reviewed in March, 1967

Solid 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. - 1685.
A 22.81719
B 3.899510
C -0.082885
D 0.042111
E -0.354063
F -8.163946
G 43.27846
H 0.000000
ReferenceChase, 1998
Comment Data last reviewed in March, 1967

Phase change 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.

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
1997. - 2560.9.5643623308.848-123.133Stull, 1947Coefficents calculated by NIST from author's data.

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

(Si4- bullet 4294967295silicon) + silicon = Si4-

By formula: (Si4- bullet 4294967295Si) + Si = Si4-

Quantity Value Units Method Reference Comment
Deltar411. ± 29.kJ/molN/ANakajima, Taguwa, et al., 1995gas phase; Vertical Detachment Energy: 2.15±0.04 eV.

(CAS Reg. No. 11080-58-3 bullet 4294967295silicon) + silicon = CAS Reg. No. 11080-58-3

By formula: (CAS Reg. No. 11080-58-3 bullet 4294967295Si) + Si = CAS Reg. No. 11080-58-3

Quantity Value Units Method Reference Comment
Deltar305. ± 14.kJ/molN/AKawamata, Neigishi, et al., 1996gas phase; Vertical Detachment Energy: 0.81±0.05 eV.

(CAS Reg. No. 106389-62-2 bullet 4294967295silicon) + silicon = CAS Reg. No. 106389-62-2

By formula: (CAS Reg. No. 106389-62-2 bullet 4294967295Si) + Si = CAS Reg. No. 106389-62-2

Quantity Value Units Method Reference Comment
Deltar469. ± 34.kJ/molN/AXu, Taylor, et al., 1998gas phase

(Si3- bullet 4294967295silicon) + silicon = Si3-

By formula: (Si3- bullet 4294967295Si) + Si = Si3-

Quantity Value Units Method Reference Comment
Deltar19. ± 18.kJ/molN/AArnold and Neumark, 1994gas phase

(CAS Reg. No. 64236-73-3 bullet 4294967295silicon) + silicon = CAS Reg. No. 64236-73-3

By formula: (CAS Reg. No. 64236-73-3 bullet 4294967295Si) + Si = CAS Reg. No. 64236-73-3

Quantity Value Units Method Reference Comment
Deltar523. ± 17.kJ/molN/ANimlos, Harding, et al., 1987gas phase

(CAS Reg. No. 68865-96-3 bullet 4294967295silicon) + silicon = CAS Reg. No. 68865-96-3

By formula: (CAS Reg. No. 68865-96-3 bullet 4294967295Si) + Si = CAS Reg. No. 68865-96-3

Quantity Value Units Method Reference Comment
Deltar350. ± 13.kJ/molN/AKasdan, Herbst, et al., 1975gas phase

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to Si+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.15169eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)837.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity814.1kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.389517 ± 0.000044LPDBlondel, Chaibi, et al., 2005(28)Si: 1.3895213(13) eV; revised analysis of Blondel, Delsart, et al., 2001; B
1.38952LPDBlondel, Delsart, et al., 2001Given: 1.3895220(24) eV, or 11207.252(18) cm-1; B
1.389517 ± 0.000044LPDScheer, Bilodeau, et al., 1998Given: 1.389521(20) eV; B
1.3850 ± 0.0050LPESKasdan, Herbst, et al., 1975B

Ionization energy determinations

IE (eV) Method Reference Comment
8.15169EVALLide, 1992LL
8.152SKelly, 1987LBLHLM
8.2 ± 0.5EIMuenow, 1974LLK
8.15166 ± 0.00003SBrown, Tilford, et al., 1974LLK
8.1 ± 0.5EIGuido and Gigli, 1973LLK
8.5 ± 0.5EIHildenbrand, 1972LLK
8.15169SMoore, 1970RDSH

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

(Si3- bullet 4294967295silicon) + silicon = Si3-

By formula: (Si3- bullet 4294967295Si) + Si = Si3-

Quantity Value Units Method Reference Comment
Deltar19. ± 18.kJ/molN/AArnold and Neumark, 1994gas phase

(Si4- bullet 4294967295silicon) + silicon = Si4-

By formula: (Si4- bullet 4294967295Si) + Si = Si4-

Quantity Value Units Method Reference Comment
Deltar411. ± 29.kJ/molN/ANakajima, Taguwa, et al., 1995gas phase; Vertical Detachment Energy: 2.15±0.04 eV.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, NIST Free Links, Notes

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

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Nakajima, Taguwa, et al., 1995
Nakajima, A.; Taguwa, T.; Nakao, K.; Gomei, M.; Kishi, R.; Iwata, S.; Kaya, K., Photoelectron Spectroscopy of silicon-carbon cluster Anions (SinCm-), J. Chem. Phys., 1995, 103, 6, 2050, https://doi.org/10.1063/1.469731 . [all data]

Kawamata, Neigishi, et al., 1996
Kawamata, H.; Neigishi, Y.; Kishi, R.; Iwata, S.; Nakajima, A.; Kaya, K., Photoelectron Spectroscopy of Silicon-Fluorine Binary Cluster Anions (SinFm-), J. Chem. Phys., 1996, 105, 13, 5369, https://doi.org/10.1063/1.472377 . [all data]

Xu, Taylor, et al., 1998
Xu, C.S.; Taylor, T.R.; Burton, G.R.; Neumark, D.M., Vibrationally reserved photoelectron spectroscopy of silicon cluster anions Si-n(-) (n=3-7), J. Chem. Phys., 1998, 108, 4, 1395-1406, https://doi.org/10.1063/1.475511 . [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]

Nimlos, Harding, et al., 1987
Nimlos, M.R.; Harding, L.B.; Ellison, G.B., The Electronic States of Si2 and Si2- as Revealed by Photoelectron Spectroscopy, J. Chem. Phys., 1987, 87, 9, 5116, https://doi.org/10.1063/1.453679 . [all data]

Kasdan, Herbst, et al., 1975
Kasdan, A.; Herbst, E.; Lineberger, W.C., Laser photoelectron spectrometry of the negative ions of silicon and its hydrides, J. Chem. Phys., 1975, 62, 541. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Blondel, Chaibi, et al., 2005
Blondel, C.; Chaibi, W.; Delsart, C.; Drag, C.; Goldfarb, F.; Kroger, S., The electron affinities of O, Si, and S revisited with the photodetachment microscope, Eur. Phys. J. D, 2005, 33, 3, 335-342, https://doi.org/10.1140/epjd/e2005-00069-9 . [all data]

Blondel, Delsart, et al., 2001
Blondel, C.; Delsart, C.; Goldfarb, F., Electron spectrometry at the mu eV level and the electron affinities of Si and F, J. Phys. B: Atom. Mol. Opt. Phys., 2001, 34, 9, L281-L288, https://doi.org/10.1088/0953-4075/34/9/101 . [all data]

Scheer, Bilodeau, et al., 1998
Scheer, M.; Bilodeau, R.C.; Brodie, C.A.; Haugen, H.K., Systematic study of the stable states of C-, Si-, Ge-, and Sn- via infrared laser spectroscopy, Phys. Rev. A, 1998, 58, 4, 2844-2856, https://doi.org/10.1103/PhysRevA.58.2844 . [all data]

Lide, 1992
Lide, D.R. (Editor), Ionization potentials of atoms and atomic ions in Handbook of Chem. and Phys., 1992, 10-211. [all data]

Kelly, 1987
Kelly, R.L., Atomic and ionic spectrum lines of hydrogen through kryton, J. Phys. Chem. Ref. Data, 1987, 16. [all data]

Muenow, 1974
Muenow, D.W., Mass spectrometric determination of the heats of formation and atomization energies of the molecules Ge2N and GeSiN, J. Chem. Phys., 1974, 60, 3382. [all data]

Brown, Tilford, et al., 1974
Brown, C.M.; Tilford, S.G.; Tousey, R.; Ginter, M.L., Absorption spectrum of Si I between 1500 and 1900 A, J. Opt. Soc. Am., 1974, 64, 1665. [all data]

Guido and Gigli, 1973
Guido, M.; Gigli, G., Mass spectrometric study of the CeSiC molecules, J. Chem. Phys., 1973, 59, 3437. [all data]

Hildenbrand, 1972
Hildenbrand, D.L., The gaseous equilibrium Ge + SiO = GeO + Si and the dissociation energy of SiO, High Temp. Sci., 1972, 4, 244. [all data]

Moore, 1970
Moore, C.E., Ionization potentials and ionization limits derived from the analyses of optical spectra, Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]


Notes

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