Sodium iodide
- Formula: INa
- Molecular weight: 149.89424
- IUPAC Standard InChI: InChI=1S/HI.Na/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: FVAUCKIRQBBSSJ-UHFFFAOYSA-M
- CAS Registry Number: 7681-82-5
- Chemical structure:
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Gas phase ion energetics 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.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 7.62 ± 0.02 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.87 ± 0.10 | LPES | Miller, Leopold, et al., 1986 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.6 | EI | Metallinou, Herstad, et al., 1990 | LL |
| 8.2 ± 0.1 | EI | Hilpert and Gingerich, 1983 | LBLHLM |
| 7.8 ± 0.4 | EI | Emons, Horlbeck, et al., 1982 | LBLHLM |
| 7.6 ± 0.1 | PE | Potts and Price, 1977 | LLK |
| 7.6 ± 0.1 | PE | Potts, Williams, et al., 1974 | LLK |
| 7.64 ± 0.02 | PI | Berkowitz, 1971 | LLK |
| 7.64 | PI | Berkowitz and Chupka, 1966 | RDSH |
| 8.0 ± 0.3 | EI | Berkowitz and Chupka, 1966 | RDSH |
| 8.7 ± 0.3 | EI | Platel, 1965 | RDSH |
| 8.0 | PE | Goodman, Allen, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| I+ | 14.42 ± 0.02 | Na | EI | Hilpert and Gingerich, 1983 | LBLHLM |
| I+ | 14.4 ± 0.3 | Na | EI | Platel, 1965 | RDSH |
| Na+ | 8.7 ± 0.1 | I | EI | Hilpert and Gingerich, 1983 | LBLHLM |
| Na+ | 8.138 | I | PI | Berkowitz and Chupka, 1966 | RDSH |
| Na+ | 8.7 ± 0.3 | I | EI | Platel, 1965 | RDSH |
Constants of diatomic molecules
Go To: Top, Gas phase ion energetics 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 March, 1977
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Peaks in the electron energy loss spectrum at 3.3, 5.7, 8.1, (20.0), 31.0 eV. | ||||||||||||
| ↳Geiger and Pfeiffer, 1968 | ||||||||||||
| A | Dense, discrete rotational structure in absorption from 18500 to 33950 cm-1 Levi, 1934 Berry, 1957 Berg and Skewes, 1969, maximum of absorption at 30800. 1 At higher energies continuous absorption with maxima at ~38900 and 46300 cm-1 Schmidt-Ott, 1931 Levi, 1934. 2 Bands in emission from 24000 to 20000 cm-1 Levi, 1934. | |||||||||||
| X 1Σ+ | 0 | 258 3 (Z) | (1.08) | 0.11780561 | 0.00064777 | 0.00000143 | 0.9734E-7 | -0.0005E-7 | 2.711452 4 | |||
| ↳Rice and Klemperer, 1957 | ||||||||||||
| Rotation sp. | ||||||||||||
| ↳Honig, Mandel, et al., 1954; Rusk and Gordy, 1962 | ||||||||||||
| Mol. beam rf electric reson. 5 | ||||||||||||
| ↳Hebert, Lovas, et al., 1968; Miller and Zorn, 1969 | ||||||||||||
| Mol. beam magn. reson. 6 | ||||||||||||
| ↳Nierenberg and Ramsey, 1947; Logan, Cote, et al., 1952; Cote and Kusch, 1953; Mehran, Brooks, et al., 1966 | ||||||||||||
Notes
| 1 | In inert gas matrices absorption bands from 25000 to 26000 cm-1 Oppenheimer and Berry, 1971; the vibrational interval in Ar is ~ 166. |
| 2 | UV absorption cross sections Davidovits and Brodhead, 1967. |
| 3 | From the IR spectrum Rice and Klemperer, 1957. Application of the Dunham relations to the microwave results of Rusk and Gordy, 1962 gives we = 259.20, wexe = 0.964. |
| 4 | Rot.-vibr. Sp. |
| 5 | μel[D] = 9.2103 + 0.0507(v+1/2), v ≤2 Hebert, Lovas, et al., 1968. Electric quadrupole coupling constants, dependence on v Miller and Zorn, 1969; earlier results by the magnetic resonance method Nierenberg and Ramsey, 1947, Logan, Cote, et al., 1952, Cote and Kusch, 1953. |
| 6 | missing note |
| 7 | Dissociative photoionization of NaI Berkowitz and Chupka, 1966. Thermochemical values Brewer and Brackett, 1961 tend to be slightly higher, atomic fluorescence gives slightly lower values (neglecting, however, the thermal population of the ground state vibrational levels); for references see Berkowitz and Chupka, 1966. Flame photometry suggests 3.13 eV Bulewicz, Phillips, et al., 1961. |
| 8 | From photoionization Berkowitz and Chupka, 1966; in good agreement with the photoelectron spectrum Potts, Williams, et al., 1974. |
| 9 | gJ = (+)0.027 μN Mehran, Brooks, et al., 1966. |
| 10 | From D00(NaI) + I.P.(Na) - I.P.(NaI); Potts, Williams, et al., 1974 give 0.60 eV. |
| 11 | From the maxima in the photoelectron spectrum Goodman, Allen, et al., 1974, Potts, Williams, et al., 1974. |
References
Go To: Top, 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.
Miller, Leopold, et al., 1986
Miller, T.M.; Leopold, D.G.; Murray, K.K.; Lineberger, W.C.,
Electron Affinities of the Alkali Halides and the Structure of their Negative Ions,
J. Chem. Phys., 1986, 85, 5, 2368, https://doi.org/10.1063/1.451091
. [all data]
Metallinou, Herstad, et al., 1990
Metallinou, M.M.; Herstad, O.; Ostvold, T.; Papatheodorou, G.N.,
Gas complexation in the Nal-Erl3 system,
Acta Chem. Scand., 1990, 44, 683. [all data]
Hilpert and Gingerich, 1983
Hilpert, K.; Gingerich, K.A.,
Mass spectrometric study on the evaporation of phases of the system NaI-SnI2,
Int. J. Mass Spectrom. Ion Phys., 1983, 47, 247. [all data]
Emons, Horlbeck, et al., 1982
Emons, H.-H.; Horlbeck, W.; Kiessling, D.,
Massenspektrometrische untersuchung der gasphase uber alkalimetalliodiden,
Z. Anorg. Allg. Chem., 1982, 488, 212. [all data]
Potts and Price, 1977
Potts, A.W.; Price, W.C.,
Photoelectron studies of ionic materials using molecular beam techniques,
Phys. Scr., 1977, 16, 191. [all data]
Potts, Williams, et al., 1974
Potts, A.W.; Williams, T.A.; Price, W.C.,
Photoelectron spectra and electronic structure of diatomic alkali halides,
Proc. Roy. Soc. London A, 1974, 341, 147. [all data]
Berkowitz, 1971
Berkowitz, J.,
Photoionization mass spectrometry photoelectron spectroscopy of high temperature vapor,
Adv. High Temp. Chem., 1971, 3, 123. [all data]
Berkowitz and Chupka, 1966
Berkowitz, J.; Chupka, W.A.,
Photoionization of high-temperature vapors. I. The iodides of sodium, magnesium, and thallium,
J. Chem. Phys., 1966, 45, 1287. [all data]
Platel, 1965
Platel, G.,
Mesures des potentials d'apparition des ions obtenus par impact electronique dans la phase vapeur des iodures alcalins et des melanges LiI-MI,
J. Chim. Phys., 1965, 62, 1176. [all data]
Goodman, Allen, et al., 1974
Goodman, T.D.; Allen, J.D., Jr.; Cusachs, L.C.; Schweitzer, G.K.,
The photoelectron spectra of gaseous alkali halides,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 289. [all data]
Geiger and Pfeiffer, 1968
Geiger, J.; Pfeiffer, H.-C.,
Untersuchung der Anregung innerer Elektronen von Alkalihalogenidmolekulen im Energieverlustspektrum von 25 keV-Elektronen,
Z. Phys., 1968, 208, 105. [all data]
Levi, 1934
Levi,
Dissertation, Berlin, 1934, 0. [all data]
Berry, 1957
Berry, R.S.,
Interaction of vibrational and electronic motion in alkali halide molecules,
J. Chem. Phys., 1957, 27, 1288. [all data]
Berg and Skewes, 1969
Berg, R.A.; Skewes, G.W.,
Discrete structure in the spectrum of sodium iodide vapor,
J. Chem. Phys., 1969, 51, 5430. [all data]
Schmidt-Ott, 1931
Schmidt-Ott, H.D.,
Uber kontinuierliche absorptionsspektra der gasformigen alkalihalogenide im ultraviolett,
Z. Phys., 1931, 69, 724. [all data]
Rice and Klemperer, 1957
Rice, S.A.; Klemperer, W.,
Spectra of the alkali halides. II. The infrared spectra of the sodium and potassium halides, RbCl, and CsCl,
J. Chem. Phys., 1957, 27, 573. [all data]
Honig, Mandel, et al., 1954
Honig, A.; Mandel, M.; Stitch, M.L.; Townes, C.H.,
Microwave spectra of the alkali halides,
Phys. Rev., 1954, 96, 629. [all data]
Rusk and Gordy, 1962
Rusk, J.R.; Gordy, W.,
Millimeter wave molecular beam spectroscopy: alkali bromides and iodides,
Phys. Rev., 1962, 127, 817. [all data]
Hebert, Lovas, et al., 1968
Hebert, A.J.; Lovas, F.J.; Melendres, C.A.; Hollowell, C.D.; Story, T.L., Jr.; Street, K., Jr.,
Dipole moments of some alkali halide molecules by the molecular beam electric resonance method,
J. Chem. Phys., 1968, 48, 2824. [all data]
Miller and Zorn, 1969
Miller, C.E.; Zorn, J.C.,
Hyperfine structure of sodium iodide,
J. Chem. Phys., 1969, 50, 3748. [all data]
Nierenberg and Ramsey, 1947
Nierenberg, W.A.; Ramsey, N.F.,
The radiofrequency spectra of the sodium halides,
Phys. Rev., 1947, 72, 1075. [all data]
Logan, Cote, et al., 1952
Logan, R.A.; Cote, R.E.; Kusch, P.,
The sign of the quadrupole interaction energy in diatomic molecules,
Phys. Rev., 1952, 86, 280. [all data]
Cote and Kusch, 1953
Cote, R.E.; Kusch, P.,
Low frequency resonances in the spectra of diatomic molecules,
Phys. Rev., 1953, 90, 103. [all data]
Mehran, Brooks, et al., 1966
Mehran, F.; Brooks, R.A.; Ramsey, N.F.,
Rotational magnetic moments of alkali-halide molecules,
Phys. Rev., 1966, 141, 93. [all data]
Oppenheimer and Berry, 1971
Oppenheimer, M.; Berry, R.S.,
Ultraviolet spectra of alkali halides in inert matrices,
J. Chem. Phys., 1971, 54, 5058. [all data]
Davidovits and Brodhead, 1967
Davidovits, P.; Brodhead, D.C.,
Ultraviolet absorption cross sections for the alkali halide vapors,
J. Chem. Phys., 1967, 46, 2968. [all data]
Brewer and Brackett, 1961
Brewer, L.; Brackett, E.,
The dissociation energies of gaseous alkali halides,
Chem. Rev., 1961, 61, 425. [all data]
Bulewicz, Phillips, et al., 1961
Bulewicz, E.M.; Phillips, L.F.; Sugden, T.M.,
Determination of dissociation constants and heats of formation of simple molecules by flame photometry. Part 8. Stabilities of the gaseous diatomic halides of certain metals,
Trans. Faraday Soc., 1961, 57, 921. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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