Barium 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-42.42kJ/molReviewChase, 1998Data last reviewed in June, 1974
Quantity Value Units Method Reference Comment
gas,1 bar278.72J/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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View table.

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
ReferenceChase, 1998
Comment 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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to BaI+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
5.08 ± 0.04EVALBelyaev, Gotkis, et al., 1990LL
5.0 ± 0.3EIKleinschmidt and Hildenbrand, 1978LLK
6.0 ± 0.4DERHastie and Margrave, 1968RDSH

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 September, 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 (138)Ba127I
StateTeωeωexeωeyeBeαeγeDeβereTrans.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
StateTeωeωexeωeyeBeαeγeDeβereTrans.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

1Vibrational 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.
2Radiative lifetime τ = 16.5 ns Dagdigian, Cruse, et al., 1974.
3missing note
4Vibrationa1 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.
5From 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.
6Preliminary data, no details.

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]

Hastie and Margrave, 1968
Hastie, J.W.; Margrave, J.L., Ionization potentials and molecule-ion dissociation energies for diatomic metal halides, Fluorine Chem. Rev., 1968, 2, 77. [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

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