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Calcium monoiodide


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
Deltafgas-5.05kJ/molReviewChase, 1998Data last reviewed in June, 1974
Quantity Value Units Method Reference Comment
gas,1 bar261.31J/mol*KReviewChase, 1998Data last reviewed in June, 1974

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. - 1500.1500. - 6000.
A 37.2777750.92932
B 0.608910-10.40142
C -0.2513492.823673
D 0.070521-0.193529
E -0.070540-7.286938
F -16.42099-32.45056
G 305.8500312.0624
H -5.045025-5.045025
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1974 Data last reviewed in June, 1974

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 40Ca127I
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
E (2Delta) 36715.7 287.2 HQ 0.80        E rarrow A V 21092.8 HQ
Kamalasanan and Shah, 1975
36713.3 287.2 HQ 0.80        E rarrow A V 21149.3 HQ
Kamalasanan and Shah, 1975
D (2Sigma) 31011.4 256.0 H 0.8        D lrarrow X V 31019.9 H
Walters and Barratt, 1928; Khanna and Dubey, 1973
C 2Pi 23743.96 224.72 H 0.530 -0.083       C lrarrow X R 23736.98 H
Walters and Barratt, 1928; Mesnage, 1939; missing citation; missing citation
23315.51 229.75 H 0.633        C lrarrow X R 23311.03 H
Walters and Barratt, 1928; Mesnage, 1939; missing citation; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 2Sigma+ 15715.2 239.95 H 0.62        B lrarrow X 1 V 15715.8 2
Walters and Barratt, 1928; Hedfeld, 1931; missing citation; Darji and Vaidya, 1973
           B lrarrow X 1 V 15712.4 2 H
Walters and Barratt, 1928; Hedfeld, 1931; missing citation; Darji and Vaidya, 1973
A 2Pi 15645.6 241.69 H 0.83        A lrarrow X V 15647.2 3 H
Walters and Barratt, 1928; Hedfeld, 1931; missing citation; Darji and Vaidya, 1973
15586.2 242.65 H 0.62        A lrarrow X V 15588.4 3 H
Walters and Barratt, 1928; Hedfeld, 1931; missing citation; Darji and Vaidya, 1973
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 2Sigma+ 0 238.70 H 0.628         

Notes

1Radiative lifetime tau(v=4) = 50.9 ns Dagdigian, Cruse, et al., 1974.
2Double heads on account of large spin doubling in B 2Sigma.
3Radiative lifetime tau(v=3,5) = 41.7 ns Dagdigian, Cruse, et al., 1974.
4Lower bound from a crossed molecular beam experiment Mims, Lin, et al., 1972; in agreement with the theoretical lower limit of Krasnov and Karaseva, 1965.

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]

Kamalasanan and Shah, 1975
Kamalasanan, M.N.; Shah, S.G., New band system of CaI molecule in the region 4600-4950 Å, Curr. Sci., 1975, 44, 805. [all data]

Walters and Barratt, 1928
Walters, O.H.; Barratt, S., The alkaline earth halide spectra and their origin, Proc. R. Soc. London A, 1928, 118, 120. [all data]

Khanna and Dubey, 1973
Khanna, L.K.; Dubey, V.S., Emission spectrum of calcium mono-iodide, Indian J. Pure Appl. Phys., 1973, 11, 286. [all data]

Mesnage, 1939
Mesnage, P., Recherches sur les decharges de haute frequence et leur application a la spectroscopie moleculaire, Ann. Phys. (Paris), 1939, 12, 5. [all data]

Hedfeld, 1931
Hedfeld, K., Die bandenspektren der erdalkalihalogene, Z. Phys., 1931, 68, 610. [all data]

Darji and Vaidya, 1973
Darji, A.B.; Vaidya, S.P., Band spectrum of CaI molecule in the region 6610-6175 Å (A and B systems), Indian J. Pure Appl. Phys., 1973, 11, 923. [all data]

Dagdigian, Cruse, et al., 1974
Dagdigian, P.J.; Cruse, H.W.; Zare, R.N., Radiative lifetimes of the alkaline earth monohalides, J. Chem. Phys., 1974, 60, 2330. [all data]

Mims, Lin, et al., 1972
Mims, C.A.; Lin, S.-M.; Herm, R.R., Crossed beam collision mechanics: reactions of Ca, Sr, and Ba with HI and limits on D0° for CaI, SrI, and BaI, J. Chem. Phys., 1972, 57, 3099. [all data]

Krasnov and Karaseva, 1965
Krasnov, K.S.; Karaseva, N.V., Reevaluation of the spectroscopic dissociation energies of subhalides of the IIa group, Opt. Spectrosc. Engl. Transl., 1965, 19, 14, In original 30. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References