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2-Silaisobutene


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 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

C3H7Si- + Hydrogen cation = 2-Silaisobutene

By formula: C3H7Si- + H+ = C3H8Si

Quantity Value Units Method Reference Comment
Deltar385.6 ± 5.1kcal/molG+TSDamrauer, DePuy, et al., 1986gas phase; Between H2O, MeOH; B
Quantity Value Units Method Reference Comment
Deltar379.0 ± 5.0kcal/molIMRBDamrauer, DePuy, et al., 1986gas phase; Between H2O, MeOH; B

(CAS Reg. No. 54711-92-1 bullet 42949672952-Silaisobutene) + 2-Silaisobutene = CAS Reg. No. 54711-92-1

By formula: (CAS Reg. No. 54711-92-1 bullet 4294967295C3H8Si) + C3H8Si = CAS Reg. No. 54711-92-1

Quantity Value Units Method Reference Comment
Deltar60.2 ± 6.1kcal/molTherDamrauer, Kass, et al., 1988gas phase; Between furan and methanol.; B

Fluorine anion + 2-Silaisobutene = (Fluorine anion bullet 2-Silaisobutene)

By formula: F- + C3H8Si = (F- bullet C3H8Si)

Quantity Value Units Method Reference Comment
Deltar37. ± 2.kcal/molICRAllison and McMahon, 1990gas phase; bracketing; M

Iron ion (1+) + 2-Silaisobutene = (Iron ion (1+) bullet 2-Silaisobutene)

By formula: Fe+ + C3H8Si = (Fe+ bullet C3H8Si)

Quantity Value Units Method Reference Comment
Deltar64. ± 9.kcal/molICRJacobson and Bakhtiar, 1993gas phase; M

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Ion clustering data, 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:
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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C3H8Si+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)226.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity220.1kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
7.71 ± 0.03PEDyke, Josland, et al., 1982LBLHLM
8.0PEKoenig and McKenna, 1981LLK
7.5 ± 0.3DERGusel'nikov and Nametkin, 1979LLK
7.98 ± 0.01PEDyke, Josland, et al., 1982Vertical value; LBLHLM

De-protonation reactions

C3H7Si- + Hydrogen cation = 2-Silaisobutene

By formula: C3H7Si- + H+ = C3H8Si

Quantity Value Units Method Reference Comment
Deltar385.6 ± 5.1kcal/molG+TSDamrauer, DePuy, et al., 1986gas phase; Between H2O, MeOH; B
Quantity Value Units Method Reference Comment
Deltar379.0 ± 5.0kcal/molIMRBDamrauer, DePuy, et al., 1986gas phase; Between H2O, MeOH; B

Ion clustering data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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 compiled by: 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Fluorine anion + 2-Silaisobutene = (Fluorine anion bullet 2-Silaisobutene)

By formula: F- + C3H8Si = (F- bullet C3H8Si)

Quantity Value Units Method Reference Comment
Deltar37. ± 2.kcal/molICRAllison and McMahon, 1990gas phase; bracketing

Iron ion (1+) + 2-Silaisobutene = (Iron ion (1+) bullet 2-Silaisobutene)

By formula: Fe+ + C3H8Si = (Fe+ bullet C3H8Si)

Quantity Value Units Method Reference Comment
Deltar64. ± 9.kcal/molICRJacobson and Bakhtiar, 1993gas phase

Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 CH stretch 2991.6 w Ar IR Trommer, Sander, et al., 1993
CH stretch 2968.7 w Ar IR Trommer, Sander, et al., 1993
CH2 scissors 1413.6 w Ar IR Trommer, Sander, et al., 1993
CH3 rock 1265.2 w Ar IR Trommer, Sander, et al., 1993
Si=C stretch 1003.8 s Ar IR Mal'tsev, Khabashesku, et al., 1977
Mal'tsev, Khabashesku, et al., 1979
Nefedov, Mal'tsev, et al., 1980
Gusel'nikov, Volkova, et al., 1980
Trommer, Sander, et al., 1993
CH3 rock 818.2 m Ar IR Mal'tsev, Khabashesku, et al., 1977
Nefedov, Mal'tsev, et al., 1980
Gusel'nikov, Volkova, et al., 1980
Trommer, Sander, et al., 1993
Si-C s-stretch 625.1 w m Ar IR Trommer, Sander, et al., 1993
b1 CH stretch 2896.5 w Ar IR Trommer, Sander, et al., 1993
CH3 rock 1423.3 w m Ar IR Trommer, Sander, et al., 1993
CH2 wag 643.9 m Ar IR Mal'tsev, Khabashesku, et al., 1977
Mal'tsev, Khabashesku, et al., 1979
Nefedov, Mal'tsev, et al., 1980
Gusel'nikov, Volkova, et al., 1980
Trommer, Sander, et al., 1993
b2 CH stretch 2862.0 w Ar IR Trommer, Sander, et al., 1993
CH3 rock 1261.6 w m Ar IR Mal'tsev, Khabashesku, et al., 1977
Nefedov, Mal'tsev, et al., 1980
Gusel'nikov, Volkova, et al., 1980
Trommer, Sander, et al., 1993
Deformation 826.2 vs Ar IR Mal'tsev, Khabashesku, et al., 1977
Mal'tsev, Khabashesku, et al., 1979
Nefedov, Mal'tsev, et al., 1980
Gusel'nikov, Volkova, et al., 1980
Trommer, Sander, et al., 1993
Si-C a-stretch 711.6 w Ar IR Trommer, Sander, et al., 1993

Additional references: Jacox, 1994, page 401; Jacox, 2003, page 386; Mahaffy, Gutowsky, et al., 1980; Mal'tsev, Khabashesku, et al., 1984; Khabashesku, Kudin, et al., 1998

Notes

wWeak
mMedium
sStrong
vsVery strong

References

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

Damrauer, DePuy, et al., 1986
Damrauer, R.; DePuy, C.H.; Davidson, I.M.T.; Hughes, K.J., Gas phase ion chemistry of dimethylsilene, Organometallics, 1986, 5, 2050. [all data]

Damrauer, Kass, et al., 1988
Damrauer, R.; Kass, S.R.; DePuy, C.H., Gas-Phase Acidities of Methylsilanes: C-H versus Si-H, Organomet., 1988, 7, 3, 637, https://doi.org/10.1021/om00093a011 . [all data]

Allison and McMahon, 1990
Allison, C.E.; McMahon, T.B., How Strong is the Si=C Bond in Fluoro- and Methyl Substituted Silaethylenes? An Experimental Determination of Pi Bond Strengths, J. Am. Chem. Soc., 1990, 112, 5, 1672, https://doi.org/10.1021/ja00161a002 . [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]

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]

Dyke, Josland, et al., 1982
Dyke, J.M.; Josland, G.D.; Lewis, R.A.; Morris, A., Improved first ionization potential of the dimethylsilaethylene molecule obtained with high-temperature photoelectron spectroscopy, J. Phys. Chem., 1982, 86, 2913. [all data]

Koenig and McKenna, 1981
Koenig, T.; McKenna, W., First ionization band of 1,1-dimethylsilaethylene by transient photoelectron spectroscopy, J. Am. Chem. Soc., 1981, 103, 1212. [all data]

Gusel'nikov and Nametkin, 1979
Gusel'nikov, L.E.; Nametkin, N.S., 1,1-dimethyl-1-silaethylene. Heat of formation, ionization potential and the energy of the silicon-carbon «pi»-bond, J. Organomet. Chem., 1979, 169, 155. [all data]

Trommer, Sander, et al., 1993
Trommer, M.; Sander, W.; Patyk, A., Oxidation of methylsilenes with molecular oxygen. A matrix isolation study, J. Am. Chem. Soc., 1993, 115, 25, 11775, https://doi.org/10.1021/ja00078a016 . [all data]

Mal'tsev, Khabashesku, et al., 1977
Mal'tsev, A.K.; Khabashesku, V.N.; Nefedov, O.M., Dokl. Akad. Nauk SSSR, 1977, 233, 421. [all data]

Mal'tsev, Khabashesku, et al., 1979
Mal'tsev, A.K.; Khabashesku, V.N.; Nefedov, O.M., Izv. A.N. SSSR, 1979, Ser. Khim., 2152. [all data]

Nefedov, Mal'tsev, et al., 1980
Nefedov, O.M.; Mal'tsev, A.K.; Khabashesku, V.N.; Korolev, V.A., Ar-matrix stabilization and ir spectra of 1,1-dimethyl-1-silaethylene and its deuteromethyl derivative, J. Organomet. Chem., 1980, 201, 1, 123, https://doi.org/10.1016/S0022-328X(00)92571-3 . [all data]

Gusel'nikov, Volkova, et al., 1980
Gusel'nikov, L.E.; Volkova, V.V.; Avakyan, V.G.; Nametkin, N.S., Very low pressure pyrolysis (VLPP) of monosilacyclobutanes. Infrared absorptions of 1,1-dimethyl-1-silaethylene, (CH3)2Si«58875»CH2, and 1,1-dideuteriomethyl-1-silaethylene, (CD3)2Si«58875»CH2 isolated in argon matrices, J. Organomet. Chem., 1980, 201, 1, 137, https://doi.org/10.1016/S0022-328X(00)92572-5 . [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, 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]

Mahaffy, Gutowsky, et al., 1980
Mahaffy, P.G.; Gutowsky, R.; Montgomery, L.K., An electron diffraction study of 1,1-dimethylsilaethylene, J. Am. Chem. Soc., 1980, 102, 8, 2854, https://doi.org/10.1021/ja00528a064 . [all data]

Mal'tsev, Khabashesku, et al., 1984
Mal'tsev, A.K.; Khabashesku, V.N.; Nefedov, O.M., Direct spectroscopic study of silaolefins. Vibrational frequencies of R2Si«58875»CD2 (R = CH3, CD3) in an argon matrix, J. Organomet. Chem., 1984, 271, 1-3, 55, https://doi.org/10.1016/0022-328X(84)85163-3 . [all data]

Khabashesku, Kudin, et al., 1998
Khabashesku, V.N.; Kudin, K.N.; Margrave, J.L., Vibrational analysis of infrared spectra of matrix-isolated transient silenes on basis of density functional theory calculations, J. Mol. Struct., 1998, 443, 1-3, 175, https://doi.org/10.1016/S0022-2860(97)00398-0 . [all data]


Notes

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