Silyl radical
- Formula: H3Si
- Molecular weight: 31.1093
- IUPAC Standard InChIKey: OLRJXMHANKMLTD-UHFFFAOYSA-N
- CAS Registry Number: 13765-44-1
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, 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:
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
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
View reactions leading to H3Si+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.135 ± 0.005 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 235.5 ± 0.7 | kcal/mol | N/A | N/A | |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH(+) ion,0K | 237. ± 1. | kcal/mol | N/A | N/A |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.405 ± 0.026 | LPD | Wetzel, Salomon, et al., 1989 | B |
1.406 ± 0.014 | LPES | Nimlos and Ellison, 1986 | B |
1.440 ± 0.097 | D-EA | Bartmess, Scott, et al., 1979 | value altered from reference due to change in acidity scale; B |
<1.440 ± 0.030 | LPD | Reed and Brauman, 1974 | B |
1.35734 | N/A | Check, Faust, et al., 2001 | MnS-(t); ; ΔS(EA)=5.7; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.17 | DER | Nagano, Murthy, et al., 1993 | LL |
8.135 ± 0.005 | LS | Johnson III, Tsai, et al., 1989 | T = 0K; LL |
8.11 ± 0.07 | END | Boo and Armentrout, 1987 | LBLHLM |
8.01 ± 0.02 | PI | Berkowitz, Greene, et al., 1987 | LBLHLM |
8.31 ± 0.07 | PI | Ding, Cassidy, et al., 1985 | LBLHLM |
8.14 ± 0.01 | PE | Dyke, Jonathan, et al., 1983 | LBLHLM |
8.74 ± 0.01 | PE | Dyke, Jonathan, et al., 1983 | Vertical value; LBLHLM |
De-protonation reactions
H2Si- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 357.2 ± 1.4 | kcal/mol | D-EA | Kasdan, Herbst, et al., 1975 | gas phase; B |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics 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: M
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 60341 | gas | M-X | Johnson III, Tsai, et al., 1989 | ||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a2 | 2 | OPLA | 800 ± 30 | gas | MPI | Johnson III, Tsai, et al., 1989 | |
State: L
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 59615 ± 30 | gas | L-X | Johnson and Hudgens, 1991 | ||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a2 | 2 | OPLA | 839 ± 26 | gas | MPI | Johnson and Hudgens, 1991 | |
State: J'
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 57726 ± 30 | gas | J'-X | Johnson and Hudgens, 1991 | ||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a2 | 2 | OPLA | 835 ± 26 | gas | MPI | Johnson and Hudgens, 1991 | |
State: J
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 56929 | gas | J-X | Johnson III, Tsai, et al., 1989 | ||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a2 | 2 | OPLA | 821 ± 4 | gas | MPI | Johnson III, Tsai, et al., 1989 | |
State: I'
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 56253 ± 30 | gas | I'-X | Johnson and Hudgens, 1991 | ||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a2 | 2 | OPLA | 814 ± 25 | gas | MPI | Johnson and Hudgens, 1991 | |
State: E
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 48438 | gas | E-X | Johnson and Hudgens, 1987 | ||||
Johnson III, Tsai, et al., 1989 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a2 | 2 | OPLA | 796 ± 7 | gas | MPI | Johnson and Hudgens, 1987 Johnson III, Tsai, et al., 1989 | |
e' | 4 | Deformation | 870 ± 5 | H | gas | MPI | Johnson III, Tsai, et al., 1989 |
State: D
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 49787 ± 30 | gas | D-X | Johnson and Hudgens, 1991 | ||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a2 | 2 | OPLA | 810 ± 31 | gas | MPI | Johnson and Hudgens, 1991 | |
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
gas | A-X | 205 | 256 | Lightfoot, Becerra, et al., 1991 | |||
Baklanov and Krasnoperov, 2001 | |||||||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 2 | Umbrella | 727.94 | I | gas | DL MPI | Yamada and Hirota, 1986 Itabashi, Kato, et al., 1988 Johnson III, Tsai, et al., 1989 |
2 | Umbrella | 721.05 | I | gas | DL MPI | Yamada and Hirota, 1986 Itabashi, Kato, et al., 1988 Johnson III, Tsai, et al., 1989 | |
2 | Umbrella | 735.4 | Ne | IR | Andrews and Wang, 2002 | ||
2 | Umbrella | 727.3 | Ne | IR | Andrews and Wang, 2002 | ||
2 | Umbrella | 727.2 | Ar | IR | Li, Graham, et al., 2001 Andrews and Wang, 2002 | ||
2 | Umbrella | 732.4 | Kr | IR | Legay-Sommaire and Legay, 1998 | ||
2 | Umbrella | 730.0 | Kr | IR | Legay-Sommaire and Legay, 1998 | ||
2 | Umbrella | 722.9 | H2 | IR | Wang and Andrews, 2003 | ||
e | 3 | SiH3 stretch | 2185.2 | gas | DL | Sumiyoshi, Tanaka, et al., 1994 | |
4 | Deformation | 928.6 | Ne | IR | Andrews and Wang, 2002 | ||
4 | Deformation | 925.0 | Ar | IR | Andrews and Wang, 2002 | ||
4 | Deformation | 929 | Kr | IR | Legay-Sommaire and Legay, 1998 | ||
4 | Deformation | 925.3 | H2 | IR | Wang and Andrews, 2003 | ||
Additional references: Jacox, 1994, page 126; Jacox, 1998, page 215; Jacox, 2003, page 158; Morehouse, Christiansen, et al., 1966; Jackel and Gordy, 1968; Nimlos and Ellison, 1986
Notes
H | (1/2)(2ν) |
I | Component of an inversion doublet |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Gas phase ion energetics 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.
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]
Reed and Brauman, 1974
Reed, K.J.; Brauman, J.I.,
Photodetachment of electrons from Group IVa binary hydride anions: The electron affinities of the SiH3 and GeH3 radicals,
J. Chem. Phys., 1974, 61, 4830. [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]
Nagano, Murthy, et al., 1993
Nagano, Y.; Murthy, S.; Beauchamp, J.L.,
Thermochemical properties and gas-phase ion chemistry of phenylsilane investigated by FT-ICR spectrometry. Identification of parent- and fragment-ion structural isomers by their specific reactivities,
J. Am. Chem. Soc., 1993, 115, 10805. [all data]
Johnson III, Tsai, et al., 1989
Johnson III, R.D.; Tsai, B.P.; Hudgens, J.W.,
Multiphoton ionization of SiH3 and SID3 radicals: Electronic spectra, vibrational analyses of the ground and Rydberg states, and ionization potentials,
J. Chem. Phys., 1989, 91, 3340. [all data]
Boo and Armentrout, 1987
Boo, B.H.; Armentrout, P.B.,
Reaction of silicon ion (2P) with silane (SiH4, SiD4) heats of formation of SiHn, SiHn+ (n=1,2,3), and Si2Hn+ (n=0,1,2,3) remarkable isotope exchange reaction involving four hydrogen shifts,
J. Am. Chem. Soc., 1987, 109, 3549. [all data]
Berkowitz, Greene, et al., 1987
Berkowitz, J.; Greene, J.P.; Cho, H.; Ruscic, B.,
Photoionization mass spectrometric studies of SiHn (n=1-4),
J. Chem. Phys., 1987, 86, 1235. [all data]
Ding, Cassidy, et al., 1985
Ding, A.; Cassidy, R.; Cordis, L.; Lampe, F.,
The photoionization spectra of effusing and supersonic molecular beams of Mmnosilane,
J. Chem. Phys., 1985, 83, 3426. [all data]
Dyke, Jonathan, et al., 1983
Dyke, J.M.; Jonathan, N.; Morris, A.; Ridha, A.; Winter, M.J.,
Vacuum ultraviolet photoelectron spectroscopy of transient species. XVII. The SiH3 (X2A1) radical,
Chem. Phys., 1983, 81, 481. [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]
Johnson and Hudgens, 1991
Johnson, R.D., III; Hudgens, J.W.,
Multiphoton ionization of SiH3 and SiD3 radicals. II. Three-photon resonance-enhanced spectra observed between 450 and 610 nm,
J. Chem. Phys., 1991, 94, 8, 5331, https://doi.org/10.1063/1.460518
. [all data]
Johnson and Hudgens, 1987
Johnson, R.D., III; Hudgens, J.W.,
A new eletronic spectrum of the SiH3 radical observed using multiphoton ionization spectroscopy,
Chem. Phys. Lett., 1987, 141, 3, 163, https://doi.org/10.1016/0009-2614(87)85002-9
. [all data]
Lightfoot, Becerra, et al., 1991
Lightfoot, P.D.; Becerra, R.; Jemi-Alade, A.A.; Lesclaux, R.,
The UV absorption spectrum of SiH3,
Chem. Phys. Lett., 1991, 180, 5, 441, https://doi.org/10.1016/0009-2614(91)85146-N
. [all data]
Baklanov and Krasnoperov, 2001
Baklanov, A.V.; Krasnoperov, L.N.,
UV Absorption Spectrum and Rate Constant for Self-Reaction of Silyl Radicals,
J. Phys. Chem. A, 2001, 105, 20, 4917, https://doi.org/10.1021/jp004198l
. [all data]
Yamada and Hirota, 1986
Yamada, C.; Hirota, E.,
Detection of the Silyl Radical SiH_{3} by Infrared Diode-Laser Spectroscopy,
Phys. Rev. Lett., 1986, 56, 9, 923, https://doi.org/10.1103/PhysRevLett.56.923
. [all data]
Itabashi, Kato, et al., 1988
Itabashi, N.; Kato, K.; Nishiwaki, N.; Goto, T.; Yamada, C.; Hirota, E.,
Measurement of the SiH,
Jap. J. Appl. Phys., 1988, 27, Part 2, No. 8, L1565, https://doi.org/10.1143/JJAP.27.L1565
. [all data]
Andrews and Wang, 2002
Andrews, L.; Wang, X.,
Infrared Spectra of the Novel Si,
J. Phys. Chem. A, 2002, 106, 34, 7696, https://doi.org/10.1021/jp0204814
. [all data]
Li, Graham, et al., 2001
Li, L.; Graham, J.T.; Weltner, W., Jr.,
Infrared Spectra of Silane in Solid Argon and Hydrogen,
J. Phys. Chem. A, 2001, 105, 49, 11018, https://doi.org/10.1021/jp013003m
. [all data]
Legay-Sommaire and Legay, 1998
Legay-Sommaire, N.; Legay, F.,
Photochemical Insertion Reaction of Hg in SiH,
J. Phys. Chem. A, 1998, 102, 45, 8759, https://doi.org/10.1021/jp9821533
. [all data]
Wang and Andrews, 2003
Wang, X.; Andrews, L.,
Infrared Spectra of Group 14 Hydrides in Solid Hydrogen: Experimental Observation of PbH,
J. Am. Chem. Soc., 2003, 125, 21, 6581, https://doi.org/10.1021/ja029862l
. [all data]
Sumiyoshi, Tanaka, et al., 1994
Sumiyoshi, Y.; Tanaka, K.; Tanaka, T.,
Diode laser spectroscopy of SiH3 in the 4.5 μm region,
Appl. Surf. Sci., 1994, 79/80, 471, https://doi.org/10.1016/0169-4332(94)90457-X
. [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]
Morehouse, Christiansen, et al., 1966
Morehouse, R.L.; Christiansen, J.J.; Gordy, W.,
ESR of Free Radicals Trapped in Inert Matrices at Low Temperature: CH3, SiH3, GeH3, and SnH3,
J. Chem. Phys., 1966, 45, 5, 1751, https://doi.org/10.1063/1.1727825
. [all data]
Jackel and Gordy, 1968
Jackel, G.S.; Gordy, W.,
Electron Spin Resonance of Free Radicals Formed from Group-IV and Group-V Hydrides in Inert Matrices at Low Temperature,
Phys. Rev., 1968, 176, 2, 443, https://doi.org/10.1103/PhysRev.176.443
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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