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Borane, trimethyl-

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Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Ttriple113.21KN/AFurukawa and Park, 1954Uncertainty assigned by TRC = 0.02 K; TRC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
3.25113.2Domalski and Hearing, 1996AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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, trimethyl- = (Fluorine anion bullet Borane, trimethyl-)

By formula: F- + C3H9B = (F- bullet C3H9B)

Quantity Value Units Method Reference Comment
Deltar244.8kJ/molIMRBMurphy and Beauchamp, 1977gas phase; MeSiF3>Me3B>SF4; B
Deltar197. ± 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
Deltar100.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
Deltar166. ± 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

C3H8B- + Hydrogen cation = Borane, trimethyl-

By formula: C3H8B- + H+ = C3H9B

Quantity Value Units Method Reference Comment
Deltar1532. ± 26.kJ/molG+TSMurphy and Beauchamp, 1976gas phase; Between AsH3,PH3; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1502. ± 25.kJ/molIMRBMurphy and Beauchamp, 1976gas phase; Between AsH3,PH3; value altered from reference due to change in acidity scale; 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:
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
10.4PIHolliday, Reade, et al., 1971LLK
8.8 ± 0.2EILaw and Margrave, 1956RDSH
10.69PEBerger, Kroner, et al., 1976Vertical value; LLK
10.68PEBarker, Lappert, et al., 1975Vertical value; LLK
10.69PEFuss and Bock, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
B+23.1 ± 0.3?EILaw and Margrave, 1956RDSH
CH3+15.1 ± 0.3?EILaw and Margrave, 1956RDSH
CH3B+17.0 ± 0.5?EILaw and Margrave, 1956RDSH
C2H6B+10.3 ± 0.2CH3EILaw and Margrave, 1956RDSH

De-protonation reactions

C3H8B- + Hydrogen cation = Borane, trimethyl-

By formula: C3H8B- + H+ = C3H9B

Quantity Value Units Method Reference Comment
Deltar1532. ± 26.kJ/molG+TSMurphy and Beauchamp, 1976gas phase; Between AsH3,PH3; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1502. ± 25.kJ/molIMRBMurphy and Beauchamp, 1976gas phase; Between AsH3,PH3; value altered from reference due to change in acidity scale; B

Ion clustering 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Fluorine anion + Borane, trimethyl- = (Fluorine anion bullet Borane, trimethyl-)

By formula: F- + C3H9B = (F- bullet C3H9B)

Quantity Value Units Method Reference Comment
Deltar244.8kJ/molIMRBMurphy and Beauchamp, 1977gas phase; MeSiF3>Me3B>SF4; B
Deltar197. ± 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
Deltar100.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
Deltar166. ± 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

IR Spectrum

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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: Coblentz Society, Inc.

Gas Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin KALLERY CHEMICAL COMPANY
Source reference COBLENTZ NO. 832
Date 1960
State VAPOR AT 30 mmHg PRESSURE; $$ RESEARCH PURITY
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Path length 10 CM
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin CCC 0004
NIST MS number 108

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References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Furukawa and Park, 1954
Furukawa, G.T.; Park, R.P., Heat Capacity, Heats of Fusion, Transition, and Vaporization, and Vapor Pressure of Trimethylborane B(CH3)3, Natl. Bur. Stand., 1954. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [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]

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]

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]


Notes

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