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silver iodide

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 November, 1974

Symbols used in the table of constants
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 107Ag127I
D (45487) (176) 1 H (2.5)        D larrow X R 
Metropolis, 1939; Barrow and Mulcahy, 1948
C 44721 155.5 2 H 1.7        C larrow X R 44695 H
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
B 0+ 31194.06 127.14 Z 4.255 3  0.040716 0.000572 3  [2.19E-08] 4  2.6712 B lrarrow X R 31153.42 Z
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 larrow X R 23879 H
Metropolis and Beutler, 1939
X 1Sigma+ 0 206.52 Z 0.445  0.04486806 0.00014139 5.7E-08 8.47E-09 5  2.544621 6  
Hoeft, Lovas, et al., 1971


1Analysis Metropolis, 1939 uncertain. Barrow and Mulcahy, 1948 estimate nue ~46000 Barrow and Mulcahy, 1948, omegae ~165 Barrow and Mulcahy, 1948.
2Average of Metropolis, 1939 and Barrow and Mulcahy, 1948.
3From v=0,1,2 only; gammae= -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.
4D1 = 2.53E-8, D2 = 3.38E-8.
5Calculated from 4Be3/omegae2. From the rotational analysis of B-X bands D0= 0.96, D1= 0.90, D2= 0.85, D3= 0.840E-8.
6Microwave sp. 8
7Thermochemical value Brewer and Lofgren, 1950, Barrow, 1954.
8For value of eqQ(127I) see Hoeft, Lovas, et al., 1971.


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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]


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