Boron monochloride


Gas 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.

Quantity Value Units Method Reference Comment
Δfgas33.800kcal/molReviewChase, 1998Data last reviewed in December, 1964
Quantity Value Units Method Reference Comment
gas,1 bar50.954cal/mol*KReviewChase, 1998Data last reviewed in December, 1964

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 6000.
A 8.493511
B 0.469278
C -0.100593
D 0.008524
E -0.099527
F 30.91420
G 60.53609
H 33.80000
ReferenceChase, 1998
Comment Data last reviewed in December, 1964

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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to BCl+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
10.2DERLias, Bartmess, et al., 1988LL
12. ± 1.EISrivastava and Farber, 1971LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
B+13.6 ± 0.2ClEIMarriott and Craggs, 1957RDSH

Constants of diatomic molecules

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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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through March, 1976

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 11B35Cl
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
A 1Π 36750.92 849.04 HQ 11.37 1 -0.100 0.7054 2 0.00820 3 -0.00050 1.60E-06 4 0.00000027 1.6894 A ↔ X 5 VR 36754.30 HQ
missing citation
a 3Π1 20200 911 5.7  0.6986 0.0047    1.698 a → X V 20235.70 Z
Lebreton, Marsigny, et al., 1971
X 1Σ+ 0 839.12 HQ 5.11  0.6838 2 0.00646  0.00000172 0.00000007 1.7159  

Notes

1ωeze = -0.0271.
2RKR potential curve Gelebart and Johannin-Gilles, 1968.
3missing note
4Extrapolation of A 1Π; see Barrow, 1960.
5Radiative lifetime τ(v=0,1,2)= 19.1 ns Hesser, 1968; f00(A←X) = 0.11.
6βe= 0.7E-7

References

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]

Srivastava and Farber, 1971
Srivastava, R.D.; Farber, M., Thermodynamic properties of the B-Cl-F system from mass spectrometer investigations, J. Chem. Soc. Faraday Trans., 1971, 67, 2298. [all data]

Marriott and Craggs, 1957
Marriott, J.; Craggs, J.D., Ionization and dissociation by electron impact. II. Boron trifluoride and boron trichloride, J. Electron. Control, 1957, 3, 194. [all data]

Lebreton, Marsigny, et al., 1971
Lebreton, J.; Marsigny, L.; Ferran, J., Caracterisation d'une nouvelle transition de la molecule 11B35Cl (systeme 3Π1→X1Σ+), C.R. Acad. Sci. Paris, Ser. C, 1971, 272, 1094. [all data]

Gelebart and Johannin-Gilles, 1968
Gelebart, F.; Johannin-Gilles, A., Les courbes d'energie potentielle des etats 1Π et 1Σ+ de la molecule BCl, C.R. Acad. Sci. Paris, Ser. B, 1968, 267, 408. [all data]

Barrow, 1960
Barrow, R.F., Dissociation energies of the gaseous monohalides of boron, aluminium, gallium, indium, and thallium, Trans. Faraday Soc., 1960, 56, 952. [all data]

Hesser, 1968
Hesser, J.E., Absolute Transition Probabilities in Ultraviolet Molecular Spectra, J. Chem. Phys., 1968, 48, 6, 2518, https://doi.org/10.1063/1.1669477 . [all data]


Notes

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