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Calcium


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
Deltafgas341.64kJ/molReviewChase, 1998Data last reviewed in September, 1983
Quantity Value Units Method Reference Comment
gas,1 bar257.19J/mol*KReviewChase, 1998Data last reviewed in September, 1983

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. - 1000.1000. - 6000.
A 60.3843222.76063
B -109.7292-1.526408
C 113.07850.318948
D -40.89262-0.002997
E -0.0035221.250912
F 327.5834339.7186
G 358.2964293.4662
H 341.6374341.6374
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1983 Data last reviewed in September, 1983

Constants of diatomic molecules

Go To: Top, Gas 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 July, 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 40Ca2
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A band system in the region 16100 - 16900 cm-1 and assigned to Ca2 by Kovalenok and Sokolov, 1967 is in all probability the same as that usually ascribed to CaO. 1
Emission continuum from 19500 to 25000 cm-1.
Hamada, 1931
A 1Sigmau+ leq18963.7 geq136.66 2 Z 0.7166 3  geq0.058247 2 0.0003104 4  4.59E-08 5  leq3.8058 A larrow X 6 V 18999.7 7 Z
Weniger, 1966; missing citation
X 1Sigmag+ 0 64.928 Z 1.0651 0.00259 0.046113 0.0007028 -7.35E-06 9.52E-08 8  4.2773  

Notes

1The Bv values quoted by Kovalenok and Sokolov, 1967 are of the same order as those for CaO.
2Vibrational numbering unknown.
3omegaexe= -0.00374(v+1/2)3 - 0.000080(v+1/2)4.
4alphav= -[2.15(v+1/2)2 + 0.097[v+1/2)3]E-6.
5He= 1.9kE-14.
6RKR curves and Franck-Condon factors Balfour and Whitlock, 1975.
7Energy of the lowest observed vibrational level relative to X 1Sigmag+ (v=0).
8Dv= +[0.0431(v+1/2)+0.00107(v+1/2)2]E-7; He = -1.4E-13 Balfour and Whitlock, 1975 and higher order constants Balfour and Whitlock, 1975.
9Extrapolation of the vibrational levels in X 1Sigmag+.

References

Go To: Top, Gas 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]

Kovalenok and Sokolov, 1967
Kovalenok, G.V.; Sokolov, V.A., Quantum vibration analysis of the orange band of Ca2, Izv. Sib. Otd. Akad. Nauk SSSR, Ser. Khim. Nauk, 1967, 4, 118. [all data]

Hamada, 1931
Hamada, H., III. On the molecular spectra of mercury, zinc, cadmium, magnesium, and thallium, Philos. Mag., 1931, 12, 50. [all data]

Weniger, 1966
Weniger, S., L'elargissement de la raie 4226,73 Å(432 «lambda»So-4P1 1P1o) de ca i dans les spectres de laboratoire et dans les etoiles d M in Proceedings IAU Colloquim on Late-Type Stars, Trieste, M. Hack, ed(s)., 1966, 25-34. [all data]

Balfour and Whitlock, 1975
Balfour, W.J.; Whitlock, R.F., The visible absorption spectrum of diatomic calcium, Can. J. Phys., 1975, 53, 472. [all data]


Notes

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