(CH3)2Si

Formula: C₂H₆Si
Molecular weight: 58.1545
IUPAC Standard InChI: InChI=1S/C2H6Si/c1-3-2/h1-2H3
IUPAC Standard InChIKey: JZZIHCLFHIXETF-UHFFFAOYSA-N
CAS Registry Number: 6376-86-9
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

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Individual Reactions

C₂H₅Si^- + = (CH3)2Si

By formula: C₂H₅Si^- + H⁺ = C₂H₆Si

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1593. ± 21.	kJ/mol	G+TS	Damrauer, DePuy, et al., 1986	gas phase; May have rearranged to 2-sila-allyl anion: G3MP2B3 calculations indicate an acidity of 361 kcal/mol
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1565. ± 21.	kJ/mol	IMRB	Damrauer, DePuy, et al., 1986	gas phase; May have rearranged to 2-sila-allyl anion: G3MP2B3 calculations indicate an acidity of 361 kcal/mol

Gas phase ion energetics data

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Data compiled by: John E. Bartmess

View reactions leading to C₂H₆Si⁺ (ion structure unspecified)

De-protonation reactions

C₂H₅Si^- + = (CH3)2Si

By formula: C₂H₅Si^- + H⁺ = C₂H₆Si

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1593. ± 21.	kJ/mol	G+TS	Damrauer, DePuy, et al., 1986	gas phase; May have rearranged to 2-sila-allyl anion: G3MP2B3 calculations indicate an acidity of 361 kcal/mol
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1565. ± 21.	kJ/mol	IMRB	Damrauer, DePuy, et al., 1986	gas phase; May have rearranged to 2-sila-allyl anion: G3MP2B3 calculations indicate an acidity of 361 kcal/mol

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: ?

Energy (cm^-1)	Med.	References


T_x_d = 22200	Ar	Drahnak, Michl, et al., 1979
		Drahnak, Michl, et al., 1981
		Arrington, Klingensmith, et al., 1984
		Maier, Mihm, et al., 1984

State: ?

Energy (cm^-1)	Med.	References


T_x_d = 22200	N₂	Drahnak, Michl, et al., 1979
		Drahnak, Michl, et al., 1981
		Arrington, Klingensmith, et al., 1984
		Maier, Mihm, et al., 1984

State: X

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


a₁	4	CH₃ s-deform.	1222	s	Ar	IR	Drahnak, Michl, et al., 1979 Arrington, Klingensmith, et al., 1984 Raabe, Vancik, et al., 1986
	5	CH₃ plan. rock	844	vs	Ar	IR	Reisenauer, Mihm, et al., 1982 Arrington, Klingensmith, et al., 1984 Maier, Mihm, et al., 1984 Raabe, Vancik, et al., 1986
	5	CH₃ plan. rock	844	vs	N₂	IR	Reisenauer, Mihm, et al., 1982 Arrington, Klingensmith, et al., 1984 Maier, Mihm, et al., 1984 Raabe, Vancik, et al., 1986
	6	Si-C stretch	690	w	Ar	IR	Arrington, Klingensmith, et al., 1984 Raabe, Vancik, et al., 1986
	6	Si-C stretch	690	w	N₂	IR	Arrington, Klingensmith, et al., 1984 Raabe, Vancik, et al., 1986
b₁	12	CH₃ stretch	2942	m	Ar	IR	Raabe, Vancik, et al., 1986
	13	CH₃ a-deform.	1435	m	Ar	IR	Drahnak, Michl, et al., 1981 Arrington, Klingensmith, et al., 1984 Raabe, Vancik, et al., 1986
b₂	17	CH₃ stretch	2977	s	Ar	IR	Raabe, Vancik, et al., 1986
	19	CH₃ s-deform.	1212	s	Ar	IR	Arrington, Klingensmith, et al., 1984 Raabe, Vancik, et al., 1986
	20	CH₃ plan. rock	803	vs	Ar	IR	Arrington, Klingensmith, et al., 1984 Raabe, Vancik, et al., 1986
	20	CH₃ plan. rock	803	vs	N₂	IR	Arrington, Klingensmith, et al., 1984 Raabe, Vancik, et al., 1986
	21	Si-C stretch	735	m T	Ar	IR	Arrington, Klingensmith, et al., 1984
	21	Si-C stretch	735	m T	N₂	IR	Arrington, Klingensmith, et al., 1984

Additional references: Jacox, 1994, page 399

Notes

Weak

Medium

Strong

Very strong

Tentative assignment or approximate value

Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

Photodissociation threshold

References

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Damrauer, DePuy, et al., 1986
Damrauer, R.; DePuy, C.H.; Davidson, I.M.T.; Hughes, K.J., Gas phase ion chemistry of dimethylsilylene, Organometallics, 1986, 5, 2054. [all data]

Drahnak, Michl, et al., 1979
Drahnak, T.J.; Michl, J.; West, R., Dimethylsilylene, (CH3)2Si, J. Am. Chem. Soc., 1979, 101, 18, 5427, https://doi.org/10.1021/ja00512a059 . [all data]

Drahnak, Michl, et al., 1981
Drahnak, T.J.; Michl, J.; West, R., Photoisomerization of dimethylsilylene to 2-silapropene and thermal reversion to dimethylsilylene, J. Am. Chem. Soc., 1981, 103, 7, 1845, https://doi.org/10.1021/ja00397a047 . [all data]

Arrington, Klingensmith, et al., 1984
Arrington, C.A.; Klingensmith, K.A.; West, R.; Michl, J., Polarized infrared spectroscopy of matrix-isolated dimethylsilylene and 1-methylsilene, J. Am. Chem. Soc., 1984, 106, 3, 525, https://doi.org/10.1021/ja00315a010 . [all data]

Maier, Mihm, et al., 1984
Maier, G.; Mihm, G.; Reisenauer, H.P.; Littmann, D., Hetero-π-Systeme, 9. Über die Beziehungen zwischen Silaethenen und Methylsilylenen, Chem. Ber., 1984, 117, 7, 2369, https://doi.org/10.1002/cber.19841170709 . [all data]

Raabe, Vancik, et al., 1986
Raabe, G.; Vancik, H.; West, R.; Michl, J., IR transition moment directions in matrix-isolated dimethylsilylene and 1-methylsilene, J. Am. Chem. Soc., 1986, 108, 4, 671, https://doi.org/10.1021/ja00264a017 . [all data]

Reisenauer, Mihm, et al., 1982
Reisenauer, H.P.; Mihm, G.; Maier, G., Reversible Photoisomerisierung zwischen Silaethenen und Methylsilylenen (Methylsilandiylen), Angew. Chem., 1982, 94, 11, 864, https://doi.org/10.1002/ange.19820941110 . [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]

Notes

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Symbols used in this document:

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions