Silylene
- Formula: H2Si
- Molecular weight: 30.1014
- IUPAC Standard InChIKey: XMIJDTGORVPYLW-UHFFFAOYSA-N
- CAS Registry Number: 13825-90-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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- • 4294967295) + = H3Si-
By formula: (H3Si- • 4294967295H2Si) + H2Si = H3Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 84.5 ± 1.4 | kcal/mol | N/A | Nimlos and Ellison, 1986 | gas phase; B |
ΔrH° | 50.6 ± 2.5 | kcal/mol | Ther | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: Fe+ + H2Si = (Fe+ • H2Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 67. ± 12. | kcal/mol | ICR | Jacobson and Bakhtiar, 1993 | gas phase; M |
HSi- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 359.0 ± 2.3 | kcal/mol | D-EA | Kasdan, Herbst, et al., 1975 | gas phase; B |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, 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
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to H2Si+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 200.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 192.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 275. | kcal/mol | N/A | N/A |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.123 ± 0.022 | LPES | Kasdan, Herbst, et al., 1975 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.92 ± 0.07 | END | Boo and Armentrout, 1987 | LBLHLM |
≤9.15 ± 0.02 | PI | Berkowitz, Greene, et al., 1987 | LBLHLM |
8.244 ± 0.025 | PI | Berkowitz, Greene, et al., 1987 | LBLHLM |
9.41 ± 0.03 | PI | Ding, Cassidy, et al., 1985 | LBLHLM |
De-protonation reactions
HSi- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 359.0 ± 2.3 | kcal/mol | D-EA | Kasdan, Herbst, et al., 1975 | gas phase; B |
Ion clustering 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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - 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
By formula: Fe+ + H2Si = (Fe+ • H2Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 67. ± 12. | kcal/mol | ICR | Jacobson and Bakhtiar, 1993 | gas phase; M |
(H3Si- • 4294967295) + = H3Si-
By formula: (H3Si- • 4294967295H2Si) + H2Si = H3Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 84.5 ± 1.4 | kcal/mol | N/A | Nimlos and Ellison, 1986 | gas phase; B |
ΔrH° | 50.6 ± 2.5 | kcal/mol | Ther | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Vibrational and/or electronic energy levels
Go To: Top, 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.
Data compiled by: Marilyn E. Jacox
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
T = 27650 | T | gas | Muramoto, Ishikawa, et al., 2005 | ||||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 15547.77 | gas | A-X | 480 | 650 | Dubois, Herzberg, et al., 1967 | ||
Dubois, 1968 | |||||||
Ishikawa and Kajimoto, 1991 | |||||||
Fukushima, Mayama, et al., 1992 | |||||||
Ishikawa and Kajimoto, 1993 | |||||||
Escribano and Campargue, 1998 | |||||||
Nakajima, Kawai, et al., 2002 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | Sym. stretch | 1990 | gas | LF | Ishikawa and Kajimoto, 1993 | |
2 | Bend | 854 | gas | AB LF | Dubois, Herzberg, et al., 1967 Fukushima, Mayama, et al., 1992 Ishikawa and Kajimoto, 1993 | ||
State: a
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 7340 ± 240 | gas | Berkowitz, Greene, et al., 1987 | |||||
Fukushima, Mayama, et al., 1992 | |||||||
State: X
Additional references: Jacox, 1994, page 19; Jacox, 1998, page 131; Jacox, 2003, page 17; Dubois, Duxbury, et al., 1975; Inoue and Suzuki, 1985; Thoman and Steinfeld, 1986; Duxbury, Alijah, et al., 1993; Fukushima and Obi, 1994
Notes
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Jacobson and Bakhtiar, 1993
Jacobson, D.B.; Bakhtiar, R.,
Generation, Characterization and Properties of Iron-Silylene and Iron-Sylene Cationic Complexes in the Gas Phase,
J. Am. Chem. Soc., 1993, 115, 23, 10830, https://doi.org/10.1021/ja00076a046
. [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]
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]
Muramoto, Ishikawa, et al., 2005
Muramoto, Y.; Ishikawa, H.; Mikami, N.,
First observation of the B [sup 1]A[sub 1] state of SiH[sub 2] and SiD[sub 2] radicals by optical-optical double resonance spectroscopy,
J. Chem. Phys., 2005, 122, 15, 154302, https://doi.org/10.1063/1.1881172
. [all data]
Dubois, Herzberg, et al., 1967
Dubois, I.; Herzberg, G.; Verma, R.D.,
Spectrum of SiH2,
J. Chem.Phys., 1967, 47, 10, 4262, https://doi.org/10.1063/1.1701609
. [all data]
Dubois, 1968
Dubois, I.,
The absorption spectrum of the free SiH,
Can. J. Phys., 1968, 46, 22, 2485, https://doi.org/10.1139/p68-608
. [all data]
Ishikawa and Kajimoto, 1991
Ishikawa, H.; Kajimoto, O.,
Fermi resonance and vibrational analysis of SiH2 () based on the LIF excitation spectra of the transitions,
J. Mol. Spectrosc., 1991, 150, 2, 610, https://doi.org/10.1016/0022-2852(91)90252-6
. [all data]
Fukushima, Mayama, et al., 1992
Fukushima, M.; Mayama, S.; Obi, K.,
Jet spectroscopy and excited state dynamics of SiH2 and SiD2,
J. Chem. Phys., 1992, 96, 1, 44, https://doi.org/10.1063/1.462479
. [all data]
Ishikawa and Kajimoto, 1993
Ishikawa, H.; Kajimoto, O.,
Vibrational Analysis of SiH2 (Ã1B1),
J. Mol. Spectrosc., 1993, 160, 1, 1, https://doi.org/10.1006/jmsp.1993.1153
. [all data]
Escribano and Campargue, 1998
Escribano, R.; Campargue, A.,
Absorption spectroscopy of SiH[sub 2] near 640 nm,
J. Chem. Phys., 1998, 108, 15, 6249, https://doi.org/10.1063/1.476062
. [all data]
Nakajima, Kawai, et al., 2002
Nakajima, M.; Kawai, A.; Fukushima, M.; Obi, K.,
LIF spectroscopy and dissociation dynamics of the SiH2 radical in the (1,v2,0) state,
Chem. Phys. Lett., 2002, 364, 1-2, 99, https://doi.org/10.1016/S0009-2614(02)01308-8
. [all data]
Ishikawa and Kajimoto, 1995
Ishikawa, H.; Kajimoto, O.,
Reanalysis of the Vibrational Resonances of SiH2 in the X1A1 State,
J. Mol. Spectrosc., 1995, 174, 1, 270, https://doi.org/10.1006/jmsp.1995.1286
. [all data]
Hirota and Ishikawa, 1999
Hirota, E.; Ishikawa, H.,
The vibrational spectrum and molecular constants of silicon dihydride SiH[sub 2] in the ground electronic state,
J. Chem. Phys., 1999, 110, 9, 4254, https://doi.org/10.1063/1.478308
. [all data]
Ishikawa, Muramoto, et al., 2002
Ishikawa, H.; Muramoto, Y.; Mikami, N.,
Stimulated Emission Pumping Spectroscopy of SiH2: First Observation of the Spin--Orbit Interaction between the X1A1 and the ã3B1 States,
J. Mol. Spectrosc., 2002, 216, 1, 90, https://doi.org/10.1006/jmsp.2002.8666
. [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]
Fredin, Hauge, et al., 1985
Fredin, L.; Hauge, R.H.; Kafafi, Z.H.; Margrave, J.L.,
Matrix isolation studies of the reactions of silicon atoms with molecular hydrogen. The infrared spectrum of silylene,
J. Chem. Phys., 1985, 82, 8, 3542, https://doi.org/10.1063/1.448933
. [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]
Inoue and Suzuki, 1984
Inoue, G.; Suzuki, M.,
Laser-induced fluorescence of the SiH2 radical,
Chem. Phys. Lett., 1984, 105, 6, 641, https://doi.org/10.1016/0009-2614(84)85673-0
. [all data]
Yamada, Kanamori, et al., 1989
Yamada, C.; Kanamori, H.; Hirota, E.; Nishiwaki, N.; Itabashi, N.; Kato, K.; Goto, T.,
Detection of the silylene ν2 band by infrared diode laser kinetic spectroscopy,
J. Chem. Phys., 1989, 91, 8, 4582, https://doi.org/10.1063/1.456746
. [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]
Dubois, Duxbury, et al., 1975
Dubois, I.; Duxbury, G.; Dixon, R.N.,
J. Chem. Soc., 1975, Faraday Trans. 2 71, 799. [all data]
Inoue and Suzuki, 1985
Inoue, G.; Suzuki, M.,
Reactions of SiH2(X1A1) with H2, CH4, C2H4, SiH4 and Si2H6 at 298 K,
Chem. Phys. Lett., 1985, 122, 4, 361, https://doi.org/10.1016/0009-2614(85)80237-2
. [all data]
Thoman and Steinfeld, 1986
Thoman, J.W., Jr.; Steinfeld, J.I.,
Laser-excited fluorescence detection of SiH2 produced in IR MPD of organosilanes,
Chem. Phys. Lett., 1986, 124, 1, 35, https://doi.org/10.1016/0009-2614(86)85008-4
. [all data]
Duxbury, Alijah, et al., 1993
Duxbury, G.; Alijah, A.; Trieling, R.E.,
Renner--Teller and spin--orbit interactions in SiH2,
J. Chem. Phys., 1993, 98, 2, 811, https://doi.org/10.1063/1.464245
. [all data]
Fukushima and Obi, 1994
Fukushima, M.; Obi, K.,
Rotational analysis of the SiD2 A 1B1--X 1A1 transition observed in a jet,
J. Chem. Phys., 1994, 100, 9, 6221, https://doi.org/10.1063/1.467085
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, NIST Free Links, References
- Symbols used in this document:
EA Electron affinity ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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