Calcium monoiodide
- Formula: CaI
- Molecular weight: 166.982
- CAS Registry Number: 15923-87-2
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -1.21 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1974 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 62.455 | cal/mol*K | Review | Chase, 1998 | Data 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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| Temperature (K) | 298. to 1500. | 1500. to 6000. |
|---|---|---|
| A | 8.909601 | 12.17240 |
| B | 0.145533 | -2.486000 |
| C | -0.060074 | 0.674874 |
| D | 0.016855 | -0.046255 |
| E | -0.016859 | -1.741620 |
| F | -3.924711 | -7.755870 |
| G | 73.09990 | 74.58470 |
| H | -1.205790 | -1.205790 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1974 | Data last reviewed in June, 1974 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References, Notes
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 ± 0.07 | EVAL | Belyaev, Gotkis, et al., 1990 | LL |
| 6.1 ± 0.3 | EI | Kleinschmidt and Hildenbrand, 1978 | LLK |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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
| Symbol | Meaning |
|---|---|
| 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) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| X 2Σ+ | 0 | 238.70 H | 0.628 | |||||||||
Notes
| 1 | Radiative lifetime τ(v=4) = 50.9 ns Dagdigian, Cruse, et al., 1974. |
| 2 | Double heads on account of large spin doubling in B 2Σ. |
| 3 | Radiative lifetime τ(v=3,5) = 41.7 ns Dagdigian, Cruse, et al., 1974. |
| 4 | Lower 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, Gas phase ion energetics 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]
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
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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