beryllium oxide

• Formula: BeO
• Molecular weight: 25.0116
• IUPAC Standard InChI:
  

  InChI=1S/Be.O Download the identifier in a file.

• IUPAC Standard InChIKey: LTPBRCUWZOMYOC-UHFFFAOYSA-N
• CAS Registry Number: 1304-56-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Beryllium monoxide
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • IR Spectrum
  • Constants of diatomic molecules
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
• Data at other public NIST sites:
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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
fH°gas	136.40	kJ/mol	Review	Chase, 1998	Data last reviewed in June, 1975
Quantity	Value	Units	Method	Reference	Comment
S°gas,1 bar	197.63	J/mol*K	Review	Chase, 1998	Data last reviewed in June, 1975

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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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
fH°liquid	-542.71	kJ/mol	Review	Chase, 1998	Data last reviewed in June, 1975
Quantity	Value	Units	Method	Reference	Comment
S°liquid,1 bar	35.86	J/mol*K	Review	Chase, 1998	Data last reviewed in June, 1975
Quantity	Value	Units	Method	Reference	Comment
fH°solid	-609.4 ± 2.5	kJ/mol	Review	Cox, Wagman, et al., 1984	CODATA Review value
fH°solid	-608.35	kJ/mol	Review	Chase, 1998	«alpha» phase; Data last reviewed in June, 1975
Quantity	Value	Units	Method	Reference	Comment
S°solid,1 bar	13.77 ± 0.04	J/mol*K	Review	Cox, Wagman, et al., 1984	CODATA Review value

Liquid Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Solid Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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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.

Spectrum

A digitized version of this spectrum is not currently available.

Additional Data

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 April, 1976

Diatomic constants for ⁹Be¹⁶O

State	Te	e	exe	eye	Be	e	e	De	e	re	Trans.	00
Fragments of additional singlet and triplet systems in the region 29000 - 33000 cm-1.
↳Bengtsson, 1928; Ciccone, 1934; missing citation
c (1 )	39120.2	1081.5 (HQ)	9.1		(1.308)	(0.010)				(1.495)	C A 1 R	29683.1 (HQ)
	↳Harvey and Bell, 1935; missing citation
B 1 +	21253.94	1370.82 Z	7.746	-0.00027	1.5758 2 3	0.0154		8.41E-6 4		1.3623	B A 5 V	11961.78 Z
	↳Lagerqvist, 1948
											B X 6 7 R	21196.70 Z
	↳missing citation; Rosenthal and Jenkins, 1929; Lagerqvist and Westoo, 1946; Lagerqvist, 1948; missing citation
State	Te	e	exe	eye	Be	e	e	De	e	re	Trans.	00
b 3+	8
	↳Thrush, 1960
A 1	9405.61	1144.24 Z	8.415	0.0339	1.3661 9 2 3	0.01628	0.000055	7.79E-6		1.4631	A X R	9234.92 Z
	↳Herzberg, 1933; missing citation; Lagerqvist, 1947; missing citation
a 3	(8480) 10
X 1+	0	1487.32 Z	11.83	0.0224	1.6510 3	0.0190		8.20E-6 11		1.3309 12

Notes

1	Franck-Condon factors Liszt and Smith, 1971.
2	Numerous perturbations between levels of A 1 and B 1, A 1 and X 1, as well as perturbations by unidentified levels [probably belonging to a 3 and b 3, see Huo, Freed, et al., 1967]. For an extensive treatment see Lagerqvist and Westoo, 1945, Lagerqvist and Westoo, 1946, Lagerqvist, 1946, Lagerqvist, 1948.
3	RKRV potential curves Thakur and Singh, 1967.
4	e= -0.07E-6. Hv= +[27 - 2(v+1/2)]E-12.
5	Very weak system.
6	Radiative lifetime (v=0)=90 ns Capelle, Johnson, et al., 1972; f00=0.0335. A much smaller value, f00(B-X) = 0.00194 Drake, Tyte, et al., 1967, was estimated from shock tube measurements Drake, Tyte, et al., 1967.
7	Franck-Condon factors Nicholls, Fraser, et al., 1960, Liszt and Smith, 1971; approximate electronic transition moments, band oscillator strengths Drake, Tyte, et al., 1967.
8	The theoretical calculations of Verhaegen and Richards, 1966 place the 3 + state at 4100 cm-1 below B 1+, in rough agreement with O'Neil, Pearson, et al., 1971 who calculate its energy at 15400 cm-1 above X 1.
9	-type doubling, vfe= +0.00055 J(J+1).
10	Theoretical calculations Huo, Freed, et al., 1967, Verhaegen and Richards, 1966 place the 3 state at 920 to 2600 cm-1 below A 1, in reasonable agreement with Pearson, O'Neil, et al., 1972 who predict it at 5900 cm-1 above X 1+.
11	e~-0.01; Hv= +[12.5 - 1.1(v+1/2)]E-12.
12	For computed ground state properties see Yoshimine, 1964 Schaefer, 1971.
13	Thermochemical value (mass-spectrom.) Chupka, Berkowitz, et al., 1959; in good agreement with 4.52 eV derived from an ab initio calculation Schaefer, 1971 of X 1+. Extrapolations of X and A to their common limit Be(1S) + O(1D) lead to 3.9 and 4.82 eV, respectively Lagerqvist, 1954. A considerably higher thermochemical value of 5.51 eV was determined by Drummond and Barrow, 1953.
14	e= -0.044E-6

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]

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Bengtsson, 1928
Bengtsson, E., Uber das bandenspektrum des berylliumoxyds, Ark. Mat. Astron. Fys., 1928, 28, 1. [all data]

Ciccone, 1934
Ciccone, A., Bande ultraviolette dell'ossido di Berillio, Ric. Sci. Progr. Tec., 1934, 1, 2, 123. [all data]

Harvey and Bell, 1935
Harvey, A.; Bell, H., The band spectrum of beryllium monoxide, Proc. Phys. Soc. London, 1935, 47, 415. [all data]

Lagerqvist, 1948
Lagerqvist, Dissertation, Stockholm, 1948, 0. [all data]

Rosenthal and Jenkins, 1929
Rosenthal, J.E.; Jenkins, F.A., Quantum analysis of the beryllium oxide bands, Phys. Rev., 1929, 33, 163. [all data]

Lagerqvist and Westoo, 1946
Lagerqvist, A.; Westoo, R., Perturbations in the ¹«SIGMA»-¹«SIGMA» system of the band-spectrum of beryllium oxide, Ark. Mat. Astron. Fys., 1946, 32, 1. [all data]

Thrush, 1960
Thrush, B.A., The ground state of beryllium oxide, Proc. Chem. Soc. London, 1960, 339. [all data]

Herzberg, 1933
Herzberg, L., Uber ein neues bandensystem des berylliumoxyds und die struktur des BeO-molekuls, Z. Phys., 1933, 84, 571. [all data]

Lagerqvist, 1947
Lagerqvist, A., The band-spectrum of beryllium oxide between «lambda» 10000 Å and «lambda» 11600 Å, Ark. Mat. Astron. Fys., 1947, 34, 1. [all data]

Liszt and Smith, 1971
Liszt, H.S.; Smith, Wm.H., RKR Franck-Condon factors for blue and ultraviolet transitions of some metal oxides, J. Quant. Spectrosc. Radiat. Transfer, 1971, 11, 1043. [all data]

Huo, Freed, et al., 1967
Huo, W.M.; Freed, K.F.; Klemperer, W., Valence excited states of BeO, J. Chem. Phys., 1967, 46, 3556. [all data]

Lagerqvist and Westoo, 1945
Lagerqvist, A.; Westoo, R., Perturbed bands of beryllium oxide between «lambda» 8000 Å and «lambda» 10000 Å, Ark. Mat. Astron. Fys., 1945, 31, 1. [all data]

Lagerqvist, 1946
Lagerqvist, A., Rotational perturbations in the band-spectrum of beryllium oxide, Ark. Mat. Astron. Fys., 1946, 33, 1. [all data]

Thakur and Singh, 1967
Thakur, S.N.; Singh, R.B., Potential curves and bond strength of CP, BeO and MgO, J. Sci. Res. Banaras Hindu Univ., 1967, 18, 1, 253-264. [all data]

Capelle, Johnson, et al., 1972
Capelle, G.A.; Johnson, S.E.; Broida, H.P., Radiative lifetimes of BeO, J. Chem. Phys., 1972, 56, 6264. [all data]

Drake, Tyte, et al., 1967
Drake, G.W.F.; Tyte, D.C.; Nicholls, R.W., A study of emissivities and transition probabilities of diatomic molecules in optically thick hot gases with applications to the B¹«SIGMA»-X¹«SIGMA» transition of BeO, J. Quant. Spectrosc. Radiat. Transfer, 1967, 7, 639. [all data]

Nicholls, Fraser, et al., 1960
Nicholls, R.W.; Fraser, P.A.; Jarmain, W.R.; McEachran, R.P., Vibrational transition probabilities of diatomic molecules: collected results. IV. BeO, BO, CH⁺, CO, NO, SH, O₂, O₂⁺, Astrophys. J., 1960, 131, 399. [all data]

Verhaegen and Richards, 1966
Verhaegen, G.; Richards, W.G., Valence levels of beryllium oxide, J. Chem. Phys., 1966, 45, 1828. [all data]

O'Neil, Pearson, et al., 1971
O'Neil, S.V.; Pearson, P.K.; Schaefer, H.F., III, Repulsive ³«SIGMA»^- and low-lying (>=1.9 eV) ³«SIGMA»⁺ states of BeO, Chem. Phys. Lett., 1971, 10, 404. [all data]

Pearson, O'Neil, et al., 1972
Pearson, P.K.; O'Neil, S.V.; Schaefer, H.F., III, Role of electron correlation in a priori predictions of the electronic ground state of BeO, J. Chem. Phys., 1972, 56, 3938. [all data]

Yoshimine, 1964
Yoshimine, M., Computed potential curve and spectroscopic constants for beryllium oxide ground state in molecular orbital approximation, J. Chem. Phys., 1964, 40, 2970. [all data]

Schaefer, 1971
Schaefer, H.F., III, Electron correlation in the lowest ¹«SIGMA»⁺ state of beryllium oxide, J. Chem. Phys., 1971, 55, 176. [all data]

Chupka, Berkowitz, et al., 1959
Chupka, W.A.; Berkowitz, J.; Giese, C.F., Vaporization of beryllium oxide and its reaction with tungsten, J. Chem. Phys., 1959, 30, 827-834. [all data]

Lagerqvist, 1954
Lagerqvist, A., The energy of dissociation of BeO, Ark. Fys., 1954, 7, 473. [all data]

Drummond and Barrow, 1953
Drummond, G.; Barrow, R.F., Thermochemical properties of gaseous beryllium and magnesium oxides, Trans. Faraday Soc., 1953, 49, 599. [all data]

Notes

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• Symbols used in this document:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  S°liquid,1 bar	Entropy of liquid at standard conditions (1 bar)
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  fH°gas	Enthalpy of formation of gas at standard conditions
  fH°liquid	Enthalpy of formation of liquid at standard conditions
  fH°solid	Enthalpy of formation of solid at standard conditions

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