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Silane, methyl-


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

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Individual Reactions

CH5Si- + Hydrogen cation = Silane, methyl-

By formula: CH5Si- + H+ = CH6Si

Quantity Value Units Method Reference Comment
Deltar1579. ± 8.8kJ/molG+TSGal, Decouzon, et al., 2001gas phase
Deltar1582. ± 13.kJ/molD-EAWetzel, Salomon, et al., 1989gas phase
Deltar1582. ± 8.8kJ/molG+TSWetzel, Salomon, et al., 1989gas phase; 0.8 kcal/mol weaker than iPrOH; value altered from reference due to change in acidity scale
Deltar1613. ± 17.kJ/molG+TSDamrauer, Kass, et al., 1988gas phase; Between furan and methanol.
Quantity Value Units Method Reference Comment
Deltar1544. ± 8.4kJ/molIMREGal, Decouzon, et al., 2001gas phase
Deltar1546. ± 13.kJ/molH-TSWetzel, Salomon, et al., 1989gas phase
Deltar1546. ± 8.4kJ/molIMREWetzel, Salomon, et al., 1989gas phase; 0.8 kcal/mol weaker than iPrOH; value altered from reference due to change in acidity scale
Deltar1577. ± 17.kJ/molIMRBDamrauer, Kass, et al., 1988gas phase; Between furan and methanol.

CH5Si- + Hydrogen cation = Silane, methyl-

By formula: CH5Si- + H+ = CH6Si

Quantity Value Units Method Reference Comment
Deltar1625. ± 17.kJ/molG+TSDamrauer, Kass, et al., 1988gas phase; Slightly less acidic then fluorobenzene
Quantity Value Units Method Reference Comment
Deltar1590. ± 17.kJ/molIMRBDamrauer, Kass, et al., 1988gas phase; Slightly less acidic then fluorobenzene

Gas phase ion energetics 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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
10.7PEPotzinger, Ritter, et al., 1975LLK
11.6PERoberge, Sandorfy, et al., 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3+15.1 ± 0.3?EISteele, Nichols, et al., 1962RDSH
CH3Si+12.8?EIBradshaw, Moyes, et al., 1976LLK
CH3Si+14.05 ± 0.05H2+HEIPotzinger and Lampe, 1970RDSH
CH4Si+11.3?EIBradshaw, Moyes, et al., 1976LLK
CH4Si+11.4 ± 0.1H2EIPotzinger, Ritter, et al., 1975LLK
CH4Si+11.45 ± 0.05H2EIPotzinger and Lampe, 1970RDSH
CH5Si+11.8HEIBradshaw, Moyes, et al., 1976LLK
CH5Si+11.8 ± 0.1HEIPotzinger, Ritter, et al., 1975LLK
CH5Si+11.80 ± 0.05HEIPotzinger and Lampe, 1970RDSH
HSi+14.8?EIBradshaw, Moyes, et al., 1976LLK
H2Si+11.7CH4EIBradshaw, Moyes, et al., 1976LLK
H2Si+11.5 ± 0.1CH4EIPotzinger, Ritter, et al., 1975LLK
SiH2+11.50 ± 0.05CH4EIPotzinger and Lampe, 1970RDSH
SiH2+11.6 ± 0.1CH4EISteele, Nichols, et al., 1962RDSH
H3Si+12.5?EIBradshaw, Moyes, et al., 1976LLK
SiH3+12.8 ± 0.1CH3EISteele, Nichols, et al., 1962RDSH
Si+12.1?EIBradshaw, Moyes, et al., 1976LLK

De-protonation reactions

CH5Si- + Hydrogen cation = Silane, methyl-

By formula: CH5Si- + H+ = CH6Si

Quantity Value Units Method Reference Comment
Deltar1579. ± 8.8kJ/molG+TSGal, Decouzon, et al., 2001gas phase; B
Deltar1582. ± 13.kJ/molD-EAWetzel, Salomon, et al., 1989gas phase; B
Deltar1582. ± 8.8kJ/molG+TSWetzel, Salomon, et al., 1989gas phase; 0.8 kcal/mol weaker than iPrOH; value altered from reference due to change in acidity scale; B
Deltar1613. ± 17.kJ/molG+TSDamrauer, Kass, et al., 1988gas phase; Between furan and methanol.; B
Quantity Value Units Method Reference Comment
Deltar1544. ± 8.4kJ/molIMREGal, Decouzon, et al., 2001gas phase; B
Deltar1546. ± 13.kJ/molH-TSWetzel, Salomon, et al., 1989gas phase; B
Deltar1546. ± 8.4kJ/molIMREWetzel, Salomon, et al., 1989gas phase; 0.8 kcal/mol weaker than iPrOH; value altered from reference due to change in acidity scale; B
Deltar1577. ± 17.kJ/molIMRBDamrauer, Kass, et al., 1988gas phase; Between furan and methanol.; B

CH5Si- + Hydrogen cation = Silane, methyl-

By formula: CH5Si- + H+ = CH6Si

Quantity Value Units Method Reference Comment
Deltar1625. ± 17.kJ/molG+TSDamrauer, Kass, et al., 1988gas phase; Slightly less acidic then fluorobenzene; B
Quantity Value Units Method Reference Comment
Deltar1590. ± 17.kJ/molIMRBDamrauer, Kass, et al., 1988gas phase; Slightly less acidic then fluorobenzene; B

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin R.W.CRAWFORD UNIV. OF CALIFORNIA, LIVERMORE, CALIFORNIA, USA
NIST MS number 80

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Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C3nu     Symmetry Number sigma = 3


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CH3 s-str 2898  E 2928.8 M gas FR(«nu»2+«nu»5)
a1 1 CH3 s-str 2898  E 2867.4 M gas
a1 2 SiH3 s-str 2169  C 2169 S gas
a1 3 CH3 s-deform 1260  C 1260 M gas
a1 4 SiH3 s-deform 940  C 940 VS gas
a1 5 Csi str 700  C 700 S gas
a2 6 Torsion 187  D  ia «nu»187.6«nu»A). MW. «nu»186.9«nu»E)
e 7 CH3 d-str 2982  A 2981.6 M gas
e 8 SiH3 d-str 2166  A 2965.7 S gas
e 9 CH3 d-deform 1403  C 1403 M gas
e 10 SiH3 d-deform 980  D 980 gas The band origin is not determined clearly
e 11 CH3 rock 868  B 867.5 S gas
e 12 SiH3 rock 540  C 540 M gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
iaInactive
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
MWTorsional Frequency calculated from microwave spectroscopic data.
A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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.

Gal, Decouzon, et al., 2001
Gal, J.F.; Decouzon, M.; Maria, P.C.; Gonzalez, A.I.; Mo, O.; Yanez, M.; El Chaouch, S.; Guillemin, J.C., Acidity trends in alpha,beta-unsaturated alkanes, silanes, germanes, and stannanes, J. Am. Chem. Soc., 2001, 123, 26, 6353-6359, https://doi.org/10.1021/ja004079j . [all data]

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]

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]

Potzinger, Ritter, et al., 1975
Potzinger, P.; Ritter, A.; Krause, J., Massenspektrometrische Bestimmung von Bindungsenergien in siliciumorganischen Verbindungen, Z. Naturforsch. A:, 1975, 30, 347. [all data]

Roberge, Sandorfy, et al., 1978
Roberge, R.; Sandorfy, C.; Matthews, J.I.; Strausz, O.P., The far ultraviolet HeI photoelectron spectra of alkyl and fluorine substituted silane derivatives, J. Chem. Phys., 1978, 69, 5105. [all data]

Steele, Nichols, et al., 1962
Steele, W.C.; Nichols, L.D.; Stone, F.G.A., The determination of silicon-carbon and silicon-hydrogen bond dissociation energies by electron impact, J. Am. Chem. Soc., 1962, 84, 4441. [all data]

Bradshaw, Moyes, et al., 1976
Bradshaw, D.I.; Moyes, R.B.; Wells, P.B., Mass spectra of some deuterium-labelled methylsilanes the analysis of mixtures, Can. J. Chem., 1976, 54, 599. [all data]

Potzinger and Lampe, 1970
Potzinger, P.; Lampe, F.W., Ionic reactions in gaseous methylsilane, J. Phys. Chem., 1970, 74, 587. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

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