Barium monoiodide
- Formula: BaI
- Molecular weight: 264.231
- CAS Registry Number: 12524-20-8
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Gas phase thermochemistry data
Go To: Top, 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -42.42 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1974 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 278.72 | J/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 (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. to 6000. |
|---|---|
| A | 37.78100 |
| B | 0.135220 |
| C | 0.068296 |
| D | 0.022904 |
| E | -0.059791 |
| F | -53.89220 |
| G | 324.0650 |
| H | -42.41740 |
| Reference | Chase, 1998 |
| Comment | 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 September, 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Additional emission bands in the region 22300-23300 cm-1: νe=23224.8,22664.7 ωe'=173.0,171.0 ωe'xe'=0.50,0.50 ωe"=177.0,177.0 ωe"xe"=0.60,0.65 | ||||||||||||
| ↳Shah, Patel, et al., 1972 | ||||||||||||
| E (2Σ+) | 26753 | 176.0 1 H | 0.30 | E ↔ X V | 26765 H | |||||||
| ↳Rosen, 1970; Patel and Shah, 1970; missing citation | ||||||||||||
| D (2Σ+) | 25764 | 161.1 1 H | 0.26 | D ↔ X 1 V | 25769 H | |||||||
| ↳Rosen, 1970; Patel and Shah, 1970; missing citation | ||||||||||||
| C (2Π) | 18569 | 0.275 | C ↔ X 2 VR | 18568 H | ||||||||
| ↳Walters and Barratt, 1928; Mesnage, 1939; Rosen, 1970; Patel and Shah, 1970; Dagdigian, Cruse, et al., 1976 | ||||||||||||
| 17814 | 150.05 $cH | 0.275 | C ↔ X 2 VR | 17813 H | ||||||||
| ↳Walters and Barratt, 1928; Mesnage, 1939; Rosen, 1970; Patel and Shah, 1970; Dagdigian, Cruse, et al., 1976 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| B (2Σ) | 10417 3 | B → X | ||||||||||
| ↳Bradford, Jones, et al., 1975 | ||||||||||||
| A (2Π) | 9921 3 | A → X | ||||||||||
| ↳Bradford, Jones, et al., 1975 | ||||||||||||
| 9268 3 | ||||||||||||
| ↳Bradford, Jones, et al., 1975 | ||||||||||||
| X (2Σ+) | 0 | 152.30 4 H | 0.270 | |||||||||
Notes
| 1 | Vibrational constants from Rosen, 1970. Similar results in Patel and Shah, 1970. A different analysis of the D-X system has been suggested Reddy and Rao, 1970, placing the 0-0 band at 26101 cm-1, and resulting in increased upper and lower state vibrational constants. |
| 2 | Radiative lifetime τ = 16.5 ns Dagdigian, Cruse, et al., 1974. |
| 3 | missing note |
| 4 | Vibrationa1 constants recalculated by Dagdigian, Cruse, et al., 1976 from unpublished data of M. M. Patel; for the upper state there is only moderate agreement with the constants in Rosen, 1970. |
| 5 | From the Ba + I2 chemiluminescence spectrum, see Dickson, Kinney, et al., 1976. Lower bounds were earlier predicted by Krasnov and Karaseva, 1965 and Mims, Lin, et al., 1972. |
| 6 | Preliminary data, no details. |
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]
Shah, Patel, et al., 1972
Shah, S.G.; Patel, M.M.; Darji, A.B.,
A new band system of molecular BaI in the region λ 4300-λ 4500 Å,
J. Phys. B:, 1972, 5, 191. [all data]
Rosen, 1970
Rosen, B.,
International tables of selected constants. 17. Spectroscopic data relative to diatomic molecules, Pub. Pergamon Press, Oxford, 1970, 0. [all data]
Patel and Shah, 1970
Patel, M.M.; Shah, N.R.,
Emission spectrum of BaI molecule,
Indian J. Pure Appl. Phys., 1970, 8, 681. [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]
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]
Dagdigian, Cruse, et al., 1976
Dagdigian, P.J.; Cruse, H.W.; Zare, R.N.,
Vibrational state analysis of unrelaxed BaI from the reactions Ba + CH3I and Ba + CH2I2,
Chem. Phys., 1976, 15, 249. [all data]
Bradford, Jones, et al., 1975
Bradford, R.S., Jr.; Jones, C.R.; Southall, L.A.; Broida, H.P.,
Production efficiencies of electronically excited states of barium monohalides,
J. Chem. Phys., 1975, 62, 2060. [all data]
Reddy and Rao, 1970
Reddy, B.R.K.; Rao, P.T.,
The emission spectrum of barium monoiodide in the ultraviolet,
J. Phys. B:, 1970, 3, 1008-1010. [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]
Dickson, Kinney, et al., 1976
Dickson, C.R.; Kinney, J.B.; Zare, R.N.,
Determination of D0o (BaI) from the chemiluminescent reaction Ba + I2,
Chem. Phys., 1976, 15, 243. [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]
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]
Notes
Go To: Top, Gas phase thermochemistry 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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