Boron nitride
- Formula: BN
- Molecular weight: 24.818
- IUPAC Standard InChI: InChI=1S/BN/c1-2
- IUPAC Standard InChIKey: PZNSFCLAULLKQX-UHFFFAOYSA-N
- CAS Registry Number: 10043-11-5
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Constants of diatomic molecules, References, Notes
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 | 114.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 50.755 | cal/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 (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. to 1100. | 1100. to 6000. |
|---|---|---|
| A | 4.745450 | 8.085261 |
| B | 7.189750 | 0.581057 |
| C | -4.746231 | -0.058894 |
| D | 1.154201 | 0.002269 |
| E | 0.048190 | -0.190030 |
| F | 112.4670 | 110.9180 |
| G | 54.82629 | 59.35509 |
| H | 114.0000 | 114.0000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1966 | Data last reviewed in June, 1966 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References, Notes
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 | -59.969 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 3.530 | cal/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 (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. to 1100. | 1100. to 3500. |
|---|---|---|
| A | -0.388725 | 18.67770 |
| B | 24.37421 | -5.576881 |
| C | -19.48490 | 1.635850 |
| D | 6.130720 | -0.167245 |
| E | -0.053311 | -4.072740 |
| F | -60.95791 | -74.53100 |
| G | -3.694470 | 15.78790 |
| H | -59.97001 | -59.97001 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1966 | Data last reviewed in June, 1966 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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, 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]
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, Constants of diatomic molecules, References
- Symbols used in this document:
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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