Borane, triethyl-

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Condensed phase 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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
solid,1 bar330.05J/mol*KN/AKostryukov, Samorukov, et al., 1977 
solid,1 bar338.1J/mol*KN/AFurukawa, 1955Below 15°. Debye extrapolation.

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
240.298.15Kostryukov, Samorukov, et al., 1977T = 12 to 322 K. Data calculated from equation. Cp = 6.2328 + 0.17161 T cal/mol*K.
241.4300.Furukawa, 1955T = 15 to 300 K.

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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

Fluorine anion + Borane, triethyl- = (Fluorine anion • Borane, triethyl-)

By formula: F- + C6H15B = (F- • C6H15B)

Quantity Value Units Method Reference Comment
Δr259.4kJ/molIMRBMurphy and Beauchamp, 1977gas phase; iPr3B>Et3B>MeSiF3; B
Δr213. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Δr182. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M

Chlorine anion + Borane, triethyl- = (Chlorine anion • Borane, triethyl-)

By formula: Cl- + C6H15B = (Cl- • C6H15B)

Quantity Value Units Method Reference Comment
Δr99.6 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Δr99.6kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(t-C4H9OH), Entropy change calculated or estimated; M
Δr92.0J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Δr72.0 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Δr72.0kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M

CN- + Borane, triethyl- = (CN- • Borane, triethyl-)

By formula: CN- + C6H15B = (CN- • C6H15B)

Quantity Value Units Method Reference Comment
Δr150.2 ± 3.3kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr120.J/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr115.5 ± 0.84kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B

Hydrogen anion + Borane, triethyl- = (Hydrogen anion • Borane, triethyl-)

By formula: H- + C6H15B = (H- • C6H15B)

Quantity Value Units Method Reference Comment
Δr290. ± 10.kJ/molEndoWorkman and Squires, 1988gas phase; From Endo threshold for hydride transfer to CO2; B

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:
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
9.6PEHolliday, Reade, et al., 1971LLK
9.7 ± 0.1EILappert, Pedley, et al., 1966RDSH
9.0 ± 0.2EILaw and Margrave, 1956RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
B+30.1 ± 0.5?EILaw and Margrave, 1956RDSH
C4H10B+9.6 ± 0.2C2H5EILaw and Margrave, 1956RDSH

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, 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.

Kostryukov, Samorukov, et al., 1977
Kostryukov, V.N.; Samorukov, O.P.; Samorukova, N.Kh.; Krasavin, A.M.; Petrunin, A.B., Heat capacity of triethylboron at low temperature, Vses. Konf. Kalorim. [Russhir. Tezisy Dokl.] 7th, 1977, 2, 387-390. [all data]

Furukawa, 1955
Furukawa, G.T., Heat capacity, heats of fusion and vaporization, and vapor pressure of triethylborane, (C2H5)3B, NBS Report, 1955, No. 3712, 1-16. [all data]

Murphy and Beauchamp, 1977
Murphy, M.K.; Beauchamp, J.L., Fluorine and Alkyl Substituent Effects on Gas-Phase Lewis Acidities of Boranes by ICR Spectroscopy, Inorg. Chem., 1977, 16, 2437. [all data]

Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B., Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements., J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004 . [all data]

Workman and Squires, 1988
Workman, D.B.; Squires, R.R., Hydride Binding Energies of Boranes, Inorg. Chem., 1988, 27, 11, 1846, https://doi.org/10.1021/ic00284a003 . [all data]

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]

Lappert, Pedley, et al., 1966
Lappert, M.F.; Pedley, J.B.; Riley, P.N.K.; Tweedale, A., Ionisation potentials and electronic spectra of halogeno- and amino-boranes, and a study of some redistribution reactions, Chem. Commun., 1966, 788. [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]


Notes

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