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beryllium sulphide


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
Deltafgas63.000kcal/molReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
gas,1 bar50.261cal/mol*KReviewChase, 1998Data last reviewed in September, 1977

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. - 1000.1000. - 3000.3000. - 6000.
A 4.713719-3.58176457.75669
B 11.220087.638528-18.92567
C -11.802651.1452492.786640
D 4.682888-0.592854-0.144744
E 0.0199054.283390-71.69001
F 61.2576572.61472-41.03729
G 53.2141554.2165450.88050
H 63.0000063.0000063.00000
ReferenceChase, 1998Chase, 1998Chase, 1998
Comment Data last reviewed in September, 1977 Data last reviewed in September, 1977 Data last reviewed in September, 1977

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-55.999kcal/molReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
solid8.817cal/mol*KReviewChase, 1998Data last reviewed in September, 1977

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. - 3000.
A 10.69120
B 5.224800
C -2.064310
D 0.322640
E -0.352080
F -60.59369
G 18.30650
H -56.00010
ReferenceChase, 1998
Comment Data last reviewed in September, 1977

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 April, 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 9Be32S
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
b (3Pi)           (b larrow a) R 25961.8 H
missing citation
           (b larrow a) R 25941.8 H
missing citation
           (b larrow a) R 25924.5 H
missing citation
B lSigma+ 25941.6 1 851.35 Z 4.85  0.72894 0.00604 -0.00003 0.00000214  1.81368 B lrarrow X R 25868.61 Z
Gissane and Barrow, 1963; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
C (1Delta) 13545.8 [660.7] 1 5.5  [0.5963] 1 0.0069    [2.005] 1  
A 1Pi 7960.1 762.46 2 Z 4.12  0.6590 2 3 4 0.00605 0.000025 0.000002  1.9075 A rarrow X R 7842.9 2 Z
missing citation
a (3Pi) 
X 1Sigma+ 0 5 997.94 Z 6.137  0.79059 O.OO664 -0.00002 0.000002  1.74153  

Notes

1Constants for the lowest observed level and interval, vibrational numbering unknown. From perturbations in A 1Pi.
2Vibrational numbering uncertain.
3Constants for the f component; Deltanufe ~ +0.00015J(J+1).
4The A 1Pi state is perturbed by three states, one of them being X 1Sigma+, another probably 1Delta.
5Theoretical calculations Verhaegen and Richards, 1967 support a 1Sigma ground state.
6From Gaydon Gaydon, 1968.

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]

Gissane and Barrow, 1963
Gissane, W.J.M.; Barrow, R.F., Rotational analysis of a system B1«SIGMA»+ <-- X1«SIGMA»+ of BeS, Proc. Phys. Soc. London, 1963, 82, 1065. [all data]

Verhaegen and Richards, 1967
Verhaegen, G.; Richards, W.G., The ground state of the BeS molecule, Proc. Phys. Soc. London, 1967, 90, 579. [all data]

Gaydon, 1968
Gaydon, A.G., Dissociation energies and spectra of diatomic molecules, Chapman and Hall, Ltd., 3rd Edition, London, 1968, 1. [all data]


Notes

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