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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Constants of diatomic molecules

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through June, 1976

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	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
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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
A ³Π	↳missing citation; Nicholls, Fraser, et al., 1959; Thrush, 1960; Mosher and Frosch, 1970
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
X ³Π	0 1	1514.6 H	12.3		1.666	0.025		(0.0000081)		1.281

Notes

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, Constants of diatomic molecules, Notes

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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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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