Barium monoiodide

Formula: BaI
Molecular weight: 264.231
CAS Registry Number: 12524-20-8
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Constants of diatomic molecules

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through September, 1976

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	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
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
Additional emission bands in the region 22300-23300 cm^-1: ν_e=23224.8,22664.7 ω_e'=173.0,171.0 ω_e'x_e'=0.50,0.50 ω_e"=177.0,177.0 ω_e"x_e"=0.60,0.65
↳Shah, Patel, et al., 1972
E (²Σ⁺)	26753	176.0 1 H	0.30								E ↔ X V	26765 H
E (²Σ⁺)	↳Rosen, 1970; Patel and Shah, 1970; missing citation
D (²Σ⁺)	25764	161.1 1 H	0.26								D ↔ X 1 V	25769 H
D (²Σ⁺)	↳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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
B (²Σ)	10417 3										B → X
B (²Σ)	↳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

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.

Radiative lifetime τ = 16.₅ ns Dagdigian, Cruse, et al., 1974.

missing note

Vibrationa1 constants recalculated by Dagdigian, Cruse, et al., 1976 from unpublished data of M. M. Patel; for the upper state there is only moderate agreement with the constants in Rosen, 1970.

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.

Preliminary data, no details.

References

Go To: Top, Constants of diatomic molecules, Notes

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 D₀^o (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, Constants of diatomic molecules, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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