silver iodide

Formula: AgI
Molecular weight: 234.7727
IUPAC Standard InChI: InChI=1S/Ag.HI/h;1H/q+1;/p-1
IUPAC Standard InChIKey: MSFPLIAKTHOCQP-UHFFFAOYSA-M
CAS Registry Number: 7783-96-2
Chemical structure:
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Constants of diatomic molecules

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

Data collected through November, 1974

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 ¹⁰⁷Ag¹²⁷I
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
D	(45487)	(176) 1 H	(2.5)								D ← X R
D	↳Metropolis, 1939; Barrow and Mulcahy, 1948
C	44721	155.₅ 2 H	1.7								C ← X R	44695 H
C	↳Metropolis, 1939; Barrow and Mulcahy, 1948
Continuous absorption above 42400 cm^-1.
↳Metropolis, 1939
Continuous absorption 29800 - 33300 cm^-1, maximum at 31500 cm^-1.
↳Brice, 1931; Mulliken, 1937; Davidovits and Bellisio, 1969
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 0⁺	31194.06	127.14 Z	4.255 3		0.040716	0.000572 3		[2.19E-08] 4		2.6712	B ↔ X R	31153.42 Z
B 0⁺	↳missing citation; Mulliken, 1937; Sastry and Rao, 1945; Barrow and Mulcahy, 1948, 2; Barrow, Morgan, et al., 1959; Barrow, Clements, et al., 1967
Continuous absorption above 24000 cm^-1.
↳Metropolis and Beutler, 1939
A	23906	151.2 H									A ← X R	23879 H
A	↳Metropolis and Beutler, 1939
X ¹Σ⁺	0	206.52 Z	0.445		0.04486806	0.0001413₉	5.₇E-08	8.47E-09 5		2.544621 6
X ¹Σ⁺	↳Hoeft, Lovas, et al., 1971

Notes

Analysis Metropolis, 1939 uncertain. Barrow and Mulcahy, 1948 estimate ν_e ~46000 Barrow and Mulcahy, 1948, ω_e ~165 Barrow and Mulcahy, 1948.

Average of Metropolis, 1939 and Barrow and Mulcahy, 1948.

From v=0,1,2 only; γ_e= -31.5E-5. The vibrational levels converge rapidly to a maximum in the potential curve at ~510 cm^-1 above v=0; see Barrow and Mulcahy, 1948, 2.

D₁ = 2.53E-8, D₂ = 3.38E-8.

Calculated from 4B_e³/ω_e². From the rotational analysis of B-X bands D₀= 0.96, D₁= 0.90, D₂= 0.85, D₃= 0.84₀E-8.

Microwave sp. 8

Thermochemical value Brewer and Lofgren, 1950, Barrow, 1954.

For value of eqQ(¹²⁷I) see Hoeft, Lovas, et al., 1971.

References

Go To: Top, Constants of diatomic molecules, Notes

Metropolis, 1939
Metropolis, N., A new ultraviolet band system of silver iodide, Phys. Rev., 1939, 55, 636. [all data]

Barrow and Mulcahy, 1948
Barrow, R.F.; Mulcahy, M.F.R., Excited States of Silver Bromide and Iodide, Nature (London), 1948, 162, 4113, 336-337. [all data]

Brice, 1931
Brice, B.A., Absorption band spectra of silver bromide and silver iodide vapors, Phys. Rev., 1931, 38, 658. [all data]

Mulliken, 1937
Mulliken, R.S., Low electronic states of simple heteropolar diatomic molecules: III. Hydrogen and univalent metal halides, Phys. Rev., 1937, 51, 310. [all data]

Davidovits and Bellisio, 1969
Davidovits, P.; Bellisio, J.A., Ultraviolet Absorption Cross Sections for the Thallium Halide and Silver Halide Vapors, J. Chem. Phys., 1969, 50, 8, 3560-3567. [all data]

Sastry and Rao, 1945
Sastry, C.R.; Rao, K.R., Note on the emission bands of the silver iodide molecule, Indian J. Phys., 1945, 19, 136. [all data]

Barrow and Mulcahy, 1948, 2
Barrow, R.F.; Mulcahy, M.F.R., The B-N band-system of silver iodide, Proc. Phys. Soc. London, 1948, 61, 99. [all data]

Barrow, Morgan, et al., 1959
Barrow, R.F.; Morgan, E.; Wright, C.V., Internuclear distances in gaseous silver halides, Proc. Chem. Soc. London, 1959, 303. [all data]

Barrow, Clements, et al., 1967
Barrow, R.F.; Clements, R.M.; Wright, C.V., Rotational analysis of bands of the B-X system of gaseous AgI, Trans. Faraday Soc., 1967, 63, 2874. [all data]

Metropolis and Beutler, 1939
Metropolis, N.; Beutler, H., Additional band systems of silver halide vapors and a new thermodynamical calculation of their dissociation energies, Phys. Rev., 1939, 55, 1113. [all data]

Hoeft, Lovas, et al., 1971
Hoeft, J.; Lovas, F.J.; Tiemann, F.; Torring, T., Die Mikrowellen-Rotationsspektren des AgCl, AgBr, and AgJ, Z. Naturforsch. A, 1971, 26, 240. [all data]

Brewer and Lofgren, 1950
Brewer, L.; Lofgren, N.L., The thermodynamics of gaseous cuprous chloride, monomer and trimer, J. Am. Chem. Soc., 1950, 72, 3038. [all data]

Barrow, 1954
Barrow, R.F., Maxima in the potential energy-distance functions of diatomic molecules, J. Chem. Phys., 1954, 22, 573. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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