Borane, trimethyl-
- Formula: C3H9B
- Molecular weight: 55.915
- IUPAC Standard InChIKey: WXRGABKACDFXMG-UHFFFAOYSA-N
- CAS Registry Number: 593-90-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Trimethylborane; Trimethylboron; (CH3)3B
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Gas phase ion energetics data
Go To: Top, 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:
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 |
---|---|---|---|
10.4 | PI | Holliday, Reade, et al., 1971 | LLK |
8.8 ± 0.2 | EI | Law and Margrave, 1956 | RDSH |
10.69 | PE | Berger, Kroner, et al., 1976 | Vertical value; LLK |
10.68 | PE | Barker, Lappert, et al., 1975 | Vertical value; LLK |
10.69 | PE | Fuss and Bock, 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
B+ | 23.1 ± 0.3 | ? | EI | Law and Margrave, 1956 | RDSH |
CH3+ | 15.1 ± 0.3 | ? | EI | Law and Margrave, 1956 | RDSH |
CH3B+ | 17.0 ± 0.5 | ? | EI | Law and Margrave, 1956 | RDSH |
C2H6B+ | 10.3 ± 0.2 | CH3 | EI | Law and Margrave, 1956 | RDSH |
De-protonation reactions
C3H8B- + =
By formula: C3H8B- + H+ = C3H9B
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1532. ± 26. | kJ/mol | G+TS | Murphy and Beauchamp, 1976 | gas phase; Between AsH3,PH3; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1502. ± 25. | kJ/mol | IMRB | Murphy and Beauchamp, 1976 | gas phase; Between AsH3,PH3; value altered from reference due to change in acidity scale; B |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Holliday, Reade, et al., 1971
Holliday, A.K.; Reade, W.; Johnstone, R.A.W.; Neville, A.F.,
Photo-electron spectrum of trivinylboron,
Chem. Commun., 1971, 51. [all data]
Law and Margrave, 1956
Law, R.W.; Margrave, J.L.,
Mass spectrometer appearance potentials for positive ion fragments from BF3, B(CH3)3, B(C2H5)3, B(OCH3)3, and HB(OCH3)2,
J. Chem. Phys., 1956, 25, 1086. [all data]
Berger, Kroner, et al., 1976
Berger, H.-O.; Kroner, J.; Noth, H.,
Die borhalogen-bindung in Methylhalogenboranen: Photoelektronenspektren und ab initio-Rechnungen,
Chem. Ber., 1976, 109, 2266. [all data]
Barker, Lappert, et al., 1975
Barker, G.K.; Lappert, M.F.; Pedley, J.B.; Sharp, G.J.; Westwood, N.P.C.,
Bonding studies of boron and the group 3-5 elements. Part XV. He(I) photoelectron spectra of monomeric group 3 tri-halide, trimethyl, and mixed halogenomethyl species,
J. Chem. Soc. Dalton Trans., 1975, 1765. [all data]
Fuss and Bock, 1974
Fuss, W.; Bock, H.,
Photoelectron spectra and molecular properties. XXXVI. (H3C)3B, (H3C)2BF, (H3C)2BN(CH3)2, and (H3C)2CC(CH3)2: The use of ionization potentials in assigning UV spectra,
J. Chem. Phys., 1974, 61, 1613. [all data]
Murphy and Beauchamp, 1976
Murphy, M.K.; Beauchamp, J.L.,
Acid-base properties and gas-phase ion chemistry of (CH3)3B,
J. Am. Chem. Soc., 1976, 98, 1433. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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