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Boron nitride


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
Deltafgas114.00kcal/molReviewChase, 1998Data last reviewed in June, 1966
Quantity Value Units Method Reference Comment
gas,1 bar50.755cal/mol*KReviewChase, 1998Data last reviewed in June, 1966

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. - 1100.1100. - 6000.
A 4.7454508.085261
B 7.1897500.581057
C -4.746231-0.058894
D 1.1542010.002269
E 0.048190-0.190030
F 112.4670110.9180
G 54.8262959.35509
H 114.0000114.0000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1966 Data last reviewed in June, 1966

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.

Quantity Value Units Method Reference Comment
Deltafsolid-59.969kcal/molReviewChase, 1998Data last reviewed in June, 1966
Quantity Value Units Method Reference Comment
solid3.530cal/mol*KReviewChase, 1998Data last reviewed in June, 1966

Solid 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. - 1100.1100. - 3500.
A -0.38872518.67770
B 24.37421-5.576881
C -19.484901.635850
D 6.130720-0.167245
E -0.053311-4.072740
F -60.95791-74.53100
G -3.69447015.78790
H -59.97001-59.97001
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1966 Data last reviewed in June, 1966

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 by: John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
3.1600 ± 0.0050LPESAsmis, Taylor, et al., 1998 
2.90 ± 0.30N/AReid, 1993 

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.

Condensed 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 MELLON INSTITUTE
Source reference COBLENTZ NO. 510
Date Not specified, most likely prior to 1970
Name(s) nitriloborane
State SOLID (NUJOL AND FLUOROLUBE MULLS)
PURE
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Path length
SPECTRAL CONTAMINATION DUE TO OIL AROUND 720 CM-1
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.


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 June, 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 11B14N
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
           R 34499 H
Douglas and Herzberg, 1940
           R 32817 H
Douglas and Herzberg, 1940
           V 30963 H
Douglas and Herzberg, 1940
A 3Pi 27875.0 1317.5 H 14.9  1.555 0.010  (0.0000087)  1.326 A lrarrow X R 27775.8 H
missing citation; Nicholls, Fraser, et al., 1959; Thrush, 1960; Mosher and Frosch, 1970
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 3Pi 0 1 1514.6 H 12.3  1.666 0.025  (0.0000081)  1.281  

Notes

1The observation of A rarrow X in absorption in rare gas matrices Mosher and Frosch, 1970 supports theoretical predictions Verhaegen, Richards, et al., 1967, Melrose and Russell, 1971 of a 3Pi ground state.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Constants of diatomic molecules, NIST Free Links, Notes

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]

Asmis, Taylor, et al., 1998
Asmis, K.R.; Taylor, T.R.; Neumark, D.M., Anion photoelectron spectroscopy of BN-, Chem. Phys. Lett., 1998, 295, 1-2, 75-81, https://doi.org/10.1016/S0009-2614(98)00943-9 . [all data]

Reid, 1993
Reid, C.J., Electron Affinities of BH, B2, BC, and BN molecules determined using Charge Inversion Spectrometry, Int. J. Mass Spectrom. Ion Proc., 1993, 127, 147, https://doi.org/10.1016/0168-1176(93)87087-9 . [all data]

Douglas and Herzberg, 1940
Douglas, A.E.; Herzberg, G., Band spectrum of the BN molecule, Can. J. Res. Sect. A, 1940, 18, 179. [all data]

Nicholls, Fraser, et al., 1959
Nicholls, R.W.; Fraser, P.A.; Jarmain, W.R., Transition probability parameters of molecular spectra arising from combustion processes, Combust. Flame, 1959, 3, 13. [all data]

Thrush, 1960
Thrush, B.A., Absorption spectra of diatomic radicals containing boron or silicon, Nature (London), 1960, 186, 1044. [all data]

Mosher and Frosch, 1970
Mosher, O.A.; Frosch, R.P., Experimental identification of the ground state of BN in a rare-gas matrix, J. Chem. Phys., 1970, 52, 5781. [all data]

Verhaegen, Richards, et al., 1967
Verhaegen, G.; Richards, W.G.; Moser, C.M., Low-lying valence levels of BN and C2. The ground state of BN, J. Chem. Phys., 1967, 46, 160. [all data]

Melrose and Russell, 1971
Melrose, M.P.; Russell, D., Variational calculations on BN, J. Chem. Phys., 1971, 55, 470. [all data]


Notes

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