Boron nitride
- Formula: BN
- Molecular weight: 24.818
- IUPAC Standard InChIKey: PZNSFCLAULLKQX-UHFFFAOYSA-N
- CAS Registry Number: 10043-11-5
- Chemical structure:
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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 |
---|---|---|---|---|---|
ΔfH°gas | 476.98 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 212.36 | J/mol*K | Review | Chase, 1998 | Data 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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1100. | 1100. to 6000. |
---|---|---|
A | 19.85496 | 33.82873 |
B | 30.08191 | 2.431142 |
C | -19.85823 | -0.246413 |
D | 4.829173 | 0.009495 |
E | 0.201627 | -0.795086 |
F | 470.5619 | 464.0809 |
G | 229.3932 | 248.3417 |
H | 476.9760 | 476.9760 |
Reference | Chase, 1998 | Chase, 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 |
---|---|---|---|---|---|
ΔfH°solid | -250.91 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
Quantity | Value | Units | Method | Reference | Comment |
S°solid | 14.77 | J/mol*K | Review | Chase, 1998 | Data 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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1100. | 1100. to 3500. |
---|---|---|
A | -1.626426 | 78.14750 |
B | 101.9817 | -23.33367 |
C | -81.52482 | 6.844396 |
D | 25.65093 | -0.699753 |
E | -0.223052 | -17.04034 |
F | -255.0479 | -311.8377 |
G | -15.45766 | 66.05657 |
H | -250.9145 | -250.9145 |
Reference | Chase, 1998 | Chase, 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 ± 0.0050 | LPES | Asmis, Taylor, et al., 1998 | |
2.90 ± 0.30 | N/A | Reid, 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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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 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, References, Notes
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
Symbol | Meaning |
---|---|
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) |
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
R | 34499 H | |||||||||||
↳Douglas and Herzberg, 1940 | ||||||||||||
R | 32817 H | |||||||||||
↳Douglas and Herzberg, 1940 | ||||||||||||
V | 30963 H | |||||||||||
↳Douglas and Herzberg, 1940 | ||||||||||||
A 3Π | 27875.0 | 1317.5 H | 14.9 | 1.555 | 0.010 | (0.0000087) | 1.326 | A ↔ X R | 27775.8 H | |||
↳missing citation; Nicholls, Fraser, et al., 1959; Thrush, 1960; Mosher and Frosch, 1970 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
X 3Π | 0 1 | 1514.6 H | 12.3 | 1.666 | 0.025 | (0.0000081) | 1.281 |
Notes
1 | The observation of A → 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 3Π 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, 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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Constants of diatomic molecules, References
- Symbols used in this document:
EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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