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
Δfgas-1.21kcal/molReviewChase, 1998Data last reviewed in June, 1974
Quantity Value Units Method Reference Comment
gas,1 bar62.455cal/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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. to 1500.1500. to 6000.
A 8.90960112.17240
B 0.145533-2.486000
C -0.0600740.674874
D 0.016855-0.046255
E -0.016859-1.741620
F -3.924711-7.755870
G 73.0999074.58470
H -1.205790-1.205790
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1974 Data last reviewed in June, 1974

Gas phase ion energetics 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.

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to CaI+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
6.02 ± 0.07EVALBelyaev, Gotkis, et al., 1990LL
6.1 ± 0.3EIKleinschmidt and Hildenbrand, 1978LLK

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 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
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
E (2Δ) 36715.7 287.2 HQ 0.80        E → A V 21092.8 HQ
Kamalasanan and Shah, 1975
36713.3 287.2 HQ 0.80        E → A V 21149.3 HQ
Kamalasanan and Shah, 1975
D (2Σ) 31011.4 256.0 H 0.8        D ↔ X V 31019.9 H
Walters and Barratt, 1928; Khanna and Dubey, 1973
C 2Π 23743.96 224.72 H 0.530 -0.083       C ↔ X R 23736.98 H
Walters and Barratt, 1928; Mesnage, 1939; missing citation; missing citation
23315.51 229.75 H 0.633        C ↔ X R 23311.03 H
Walters and Barratt, 1928; Mesnage, 1939; missing citation; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
B 2Σ+ 15715.2 239.95 H 0.62        B ↔ X 1 V 15715.8 2
Walters and Barratt, 1928; Hedfeld, 1931; missing citation; Darji and Vaidya, 1973
           B ↔ X 1 V 15712.4 2 H
Walters and Barratt, 1928; Hedfeld, 1931; missing citation; Darji and Vaidya, 1973
A 2Π 15645.6 241.69 H 0.83        A ↔ 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 ↔ X V 15588.4 3 H
Walters and Barratt, 1928; Hedfeld, 1931; missing citation; Darji and Vaidya, 1973
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
X 2Σ+ 0 238.70 H 0.628         

Notes

1Radiative lifetime τ(v=4) = 50.9 ns Dagdigian, Cruse, et al., 1974.
2Double heads on account of large spin doubling in B 2Σ.
3Radiative lifetime τ(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

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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]

Belyaev, Gotkis, et al., 1990
Belyaev, V.N.; Gotkis, I.S.; Lebedeva, N.L.; Krasnov, K.S., Ionization potentials of MX molecules (M = Ca, Sr, Ba; X = F, Cl, Br, I, OH, O), Russ. J. Phys. Chem., 1990, 64, 773. [all data]

Kleinschmidt and Hildenbrand, 1978
Kleinschmidt, P.D.; Hildenbrand, D.L., Dissociation energies of CaI, SrI, and BaI from high temperature mass spectrometry, J. Chem. Phys., 1978, 68, 2819. [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

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