Mercury, dimethyl-
- Formula: C2H6Hg
- Molecular weight: 230.66
- IUPAC Standard InChIKey: ATZBPOVXVPIOMR-UHFFFAOYSA-N
- CAS Registry Number: 593-74-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Dimethylmercury; (CH3)2Hg
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Phase change data
Go To: Top, 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 as indicated in comments:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 8.3 ± 0.2 | kcal/mol | CC-SB | Long and Cattanach, 1961 | MS |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 8.3 ± 0.2 | kcal/mol | CC-SB | Long and Cattanach, 1961 | MS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.77 ± 0.02 | 321. | Baev, 2001 | Based on data from 275. to 367. K.; AC |
Gas phase ion energetics data
Go To: Top, Phase change 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 184.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 177.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.10 ± 0.05 | PI | Distefano and Dibeler, 1970 | RDSH |
9.3 | PE | Creber and Bancroft, 1980 | Vertical value; LLK |
9.33 | PE | Nugent, Wu, et al., 1976 | Vertical value; LLK |
9.33 | PE | Fehlner, Ulman, et al., 1976 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3+ | 12.55 | CH3+Hg? | PI | Distefano and Dibeler, 1970 | RDSH |
CH3Hg+ | 10.10 ± 0.02 | CH3 | PI | Distefano and Dibeler, 1970 | RDSH |
Hg+ | 13.05 ± 0.02 | 2CH3 | PI | Distefano and Dibeler, 1970 | RDSH |
Vibrational and/or electronic energy levels
Go To: Top, Phase change data, Gas phase ion energetics 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: Takehiko Shimanouchi
Symmetry: D3h'(G+36) Symmetry Number σ = 6
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1' | 1 | CH3 s-str | 2911 | C | ia | 2911 VS p | liq. | Free rotation | ||
a1' | 2 | CH3 s-deform | 1182 | C | ia | 1182 VS p | liq. | Free rotation | ||
a1' | 3 | CHg s-str | 515 | C | ia | 515 VS p | liq. | Free rotation | ||
a1 | 4 | Torsion | ia | ia | Free rotation | |||||
a2 | 5 | CH3 s-str | 2925 | D | 2925 b | gas | ia | Free rotation | ||
a2 | 6 | CH3 s-deform | 1191 | C | 1191 M | gas | ia | Free rotation | ||
a2 | 7 | CHg a-str | 540 | C | 540 VS | gas | ia | Free rotation | ||
e' | 8 | CH3 d-str | 2962 | C | 2962 S | gas | Free rotation | |||
e' | 9 | CH3 d-deform | 1397 | C | 1397 W dp | liq. | Free rotation | |||
e' | 10 | CH3 rock | 780 | C | 780 VS | gas | 779 VW dp | liq. | Free rotation | |
e' | 11 | CHgC deform | 161 | C | 161 M dp | liq. | Free rotation | |||
e | 12 | CH3 d-str | 2874 | C | 2874 S p | liq. | Free rotation | |||
e | 13 | CH3 d-deform | 1442 | C | 1442 W dp | liq. | Free rotation | |||
e | 14 | CH3 rock | 699 | C | 700 sh | gas | 699 M dp | liq. | Free rotation | |
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
ia | Inactive |
b | Broad |
sh | Shoulder |
p | Polarized |
dp | Depolarized |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Phase change data, Gas phase ion energetics 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.
Long and Cattanach, 1961
Long, L.H.; Cattanach, J.,
J. Inorg. Nucl. Chem., 1961, 20, 340. [all data]
Baev, 2001
Baev, A.K.,
Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 2001, 44, 1, 3. [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]
Distefano and Dibeler, 1970
Distefano, G.; Dibeler, V.H.,
Photoionization study of the dimethyl compounds of zinc, cadmium, and mercury,
Intern. J. Mass Spectrom. Ion Phys., 1970, 4, 59. [all data]
Creber and Bancroft, 1980
Creber, D.K.; Bancroft, G.M.,
Photoelectron studies of dialkyl group 2B compounds: Ligand field splittings intensity variations with photon energy,
Inorg. Chem., 1980, 19, 643. [all data]
Nugent, Wu, et al., 1976
Nugent, W.A.; Wu, M.M.-H.; Fehlner, T.P.; Kochi, J.K.,
Enhanced reactivity of exo-norbornyl derivatives. Evidence for σ-participation in the absence of steric effects,
J. Chem. Soc., Chem. Commun., 1976, 456. [all data]
Fehlner, Ulman, et al., 1976
Fehlner, T.P.; Ulman, J.; Nugent, W.A.; Kochi, J.K.,
Effect of alkyl substituents on the first ionization potential and on 5d10 ionization in dialkylmercury compounds,
Inorg. Chem., 1976, 15, 2544. [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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- Symbols used in this document:
AE Appearance energy ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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