Methyl zinc

Formula: CH₃Zn
Molecular weight: 80.41
IUPAC Standard InChI: InChI=1S/CH3.Zn/h1H3;
IUPAC Standard InChIKey: BQWIWXUEEOBUTH-UHFFFAOYSA-N
CAS Registry Number: 42217-98-1
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
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Data at other public NIST sites:
- Gas Phase Kinetics Database
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Gas phase thermochemistry data

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Data compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	45.5 ± 4.0	kcal/mol	Review	Martinho Simões	The enthalpy of formation relies on 12.6 ± 0.31 kcal/mol for the enthalpy of formation of Zn(Me)2(g).
Δ_fH°_gas	43.5 - 48.8	kcal/mol	Review	Martinho Simões	The enthalpy of formation limits rely on 12.6 ± 0.31 kcal/mol for the enthalpy of formation of Zn(Me)2(g).
Δ_fH°_gas	41.2 ± 1.6	kcal/mol	Review	Martinho Simões	The enthalpy of formation relies on 12.6 ± 0.31 kcal/mol for the enthalpy of formation of Zn(Me)2(g).

Reaction thermochemistry data

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Data compiled by: José A. Martinho Simões

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

(g) = Methyl zinc (g) + (g)

By formula: C₂H₆Zn (g) = CH₃Zn (g) + CH₄ (g)

Quantity	Value	Units	Method	Reference
Δ_rH°	63.7 ± 1.5	kcal/mol	KinG	Jackson, 1989
Δ_rH°	66.0 - 71.2	kcal/mol	N/A	Smith and Patrick, 1983
Δ_rH°	68.0 ± 4.0	kcal/mol	N/A	McMillen and Golden, 1982

Gas phase ion energetics data

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Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to CH₃Zn⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_{(+) ion}	213.	kcal/mol	N/A	N/A

Ionization energy determinations

IE (eV)	Method	Reference	Comment
7.2	DER	Lias, Bartmess, et al., 1988	LL

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: C

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 36510	gas	C-X	260	274	Young, Gosavi, et al., 1973

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


a₁	2	CH₃ deform.	950	T	gas	AB	Young, Gosavi, et al., 1973

State: A

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 24082.82	gas	A-X	379	437	Young, Gosavi, et al., 1973
					Yu, Youngs, et al., 1986
					Robles, Ellis, et al., 1991
					Cerny, Tan, et al., 1993
					Barckholtz, Powers, et al., 1999

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


a₁	2	CH₃ deform.	1060	gas	AB LF	Young, Gosavi, et al., 1973 Jackson, 1990 Robles, Ellis, et al., 1991 Barckholtz, Powers, et al., 1999
	3	ZnC stretch	467	gas	LF MPI	Robles, Ellis, et al., 1991 Barckholtz, Powers, et al., 1999
e	6	HCZn deform.	749	gas	MPI	Barckholtz, Powers, et al., 1999

State: X

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


a₁	2	CH₃ deform.	1064		gas	EM LF	Ibuki, Hiraya, et al., 1990 Jackson, 1990 Robles, Ellis, et al., 1991
	3	ZnC stretch	445		gas	LF	Jackson, 1990 Robles, Ellis, et al., 1991
e	6	ZnCH deform.	315	T	gas	LF	Robles, Ellis, et al., 1991

Additional references: Jacox, 1994, page 230; Jacox, 1998, page 267; Jacox, 2003, page 249

Notes

Tentative assignment or approximate value

Energy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Jackson, 1989
Jackson, R.L., Chem. Phys. Lett., 1989, 163, 315. [all data]

Smith and Patrick, 1983
Smith, G.P.; Patrick, R., Int. J. Chem. Kinet., 1983, 15, 167. [all data]

McMillen and Golden, 1982
McMillen, D.F.; Golden, D.M., Hydrocarbon bond dissociation energies, Ann. Rev. Phys. Chem., 1982, 33, 493. [all data]

Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G., Gas-phase ion and neutral thermochemistry, J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]

Young, Gosavi, et al., 1973
Young, P.J.; Gosavi, R.K.; Connor, J.; Strausz, O.P.; Gunning, H.E., Ultraviolet absorption spectra of CdCH3, ZnCH3, and TeCH3, J. Chem. Phys., 1973, 58, 12, 5280, https://doi.org/10.1063/1.1679141 . [all data]

Yu, Youngs, et al., 1986
Yu, C.F.; Youngs, F.; Tsukiyama, K.; Bersohn, R.; Preses, J., Photodissociation dynamics of cadmium and zinc dimethyl, J. Chem. Phys., 1986, 85, 3, 1382, https://doi.org/10.1063/1.451226 . [all data]

Robles, Ellis, et al., 1991
Robles, E.S.J.; Ellis, A.M.; Miller, T.A., Laser-induced fluorescence spectra of the cold radicals, ZnCH3 and CdCH3, and their inert-gas complexes, X«58872»CdCH3 (X = He, Ne, Ar, Kr, Xe), Chem. Phys. Lett., 1991, 178, 2-3, 185, https://doi.org/10.1016/0009-2614(91)87054-F . [all data]

Cerny, Tan, et al., 1993
Cerny, T.M.; Tan, X.Q.; Williamson, J.M.; Robles, E.S.J.; Ellis, A.M.; Miller, T.A., High resolution electronic spectroscopy of ZnCH3 and CdCH3, J. Chem. Phys., 1993, 99, 12, 9376, https://doi.org/10.1063/1.465521 . [all data]

Barckholtz, Powers, et al., 1999
Barckholtz, T.A.; Powers, D.E.; Miller, T.A.; Bursten, B.E., ZEKE Spectroscopy of the Organometallic Radicals MgCH, J. Am. Chem. Soc., 1999, 121, 11, 2576, https://doi.org/10.1021/ja9832461 . [all data]

Jackson, 1990
Jackson, R.L., Spectroscopy of the CH3Zn radical. Vibrational frequencies and electronic configurations of the X, Ã, and C states, Chem. Phys. Lett., 1990, 174, 1, 53, https://doi.org/10.1016/0009-2614(90)85325-7 . [all data]

Ibuki, Hiraya, et al., 1990
Ibuki, T.; Hiraya, A.; Shobatake, K., Photoexcitation of M(CH3)2 (M=Zn, Cd, Hg) compounds in the 106--270 nm region, J. Chem. Phys., 1990, 92, 5, 2797, https://doi.org/10.1063/1.457926 . [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]

Notes

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Symbols used in this document:

Δ_fH°_gas Enthalpy of formation of gas 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_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions