sodium bromide
- Formula: BrNa
- Molecular weight: 102.894
- IUPAC Standard InChI: InChI=1S/BrH.Na/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: JHJLBTNAGRQEKS-UHFFFAOYSA-M
- CAS Registry Number: 7647-15-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Reaction thermochemistry data
Go To: Top, Gas phase ion energetics 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
2 +
=
+
+ CNO.Na
By formula: 2HNaO + CBrN = BrNa + H2O + CNO.Na
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -56.06 ± 0.17 | kcal/mol | Cm | Lord and Woolf, 1954 | solid phase; Heat of hydrolysis |
Gas phase ion energetics data
Go To: Top, Reaction 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 8.3 ± 0.1 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.788 ± 0.010 | LPES | Miller, Leopold, et al., 1986 | B |
| 0.940004 | NBAE | De Vreugd, Wijnaendts van Resandt, et al., 1979 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.3 ± 0.1 | PE | Potts and Price, 1977 | LLK |
| 8.3 ± 0.1 | PE | Potts, Williams, et al., 1974 | LLK |
| 8.7 | PE | Goodman, Allen, et al., 1974 | Vertical value; LLK |
Constants of diatomic molecules
Go To: Top, Reaction thermochemistry data, 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| The electron energy loss spectrum has peaks at 5.2, 7.1, 8.8, (20.0), 31.0 eV. | ||||||||||||
| ↳Geiger and Pfeiffer, 1968 | ||||||||||||
| Continuous absorption above ~30000 cm-1 with maximum near 35500 and 40000 cm -1. 1 2 | ||||||||||||
| A 3 | A ↔ X | |||||||||||
| ↳Muller, 1927; Beutler and Josephy, 1929; Levi, 1934 | ||||||||||||
| X 1Σ+ | 0 | 302.1 4 (Z) | (1.50) | 0.15125331 | 0.00094095 | 0.00000243 | 1.5535E-7 | -0.0050E-7 | 2.502038 5 | |||
| ↳Rice and Klemperer, 1957 | ||||||||||||
| Rotation sp. | ||||||||||||
| ↳Honig, Mandel, et al., 1954; Rusk and Gordy, 1962 | ||||||||||||
| Mol. beam electric reson. 6 | ||||||||||||
| ↳Hebert, Lovas, et al., 1968 | ||||||||||||
| Mol. beam magnetic reson. | ||||||||||||
| ↳Nierenberg and Ramsey, 1947; Logan, Cote, et al., 1952; Cote and Kusch, 1953 | ||||||||||||
Notes
| 1 | UV absorption cross sections Davidovits and Brodhead, 1967; Absorption at higher energies produces fluorescence from Na (3p 2P), maximum efficiency at 50500 cm-1 Earl and Herm, 1974. |
| 2 | The absorption spectrum of NaBr trapped in inert gas matrices shows band structure at v > 32300 cm-1; under certain conditions as many as 16 peaks have been observed with spacings of approximately 453 and 523 cm-1 in Ar, 529 in Kr, and 472 in N2 Oppenheimer and Berry, 1971. |
| 3 | Diffuse absorption bands from 28800 to 22600 cm-1; in emission continua and diffuse bands from 31000 to 17000 cm-1. |
| 4 | From the IR spectrum Rice and Klemperer, 1957; we = 298.49 and wexe = 1.16 have been calculated by Rusk and Gordy, 1962 from the microwave results using Dunham's theory. |
| 5 | Rot.-vibr. Sp. |
| 6 | μel[D] = 9.0918 + 0.0531(v + 1/2), v ≤ 2 Hebert, Lovas, et al., 1968. Melendres, 1968, quoted in Miller, Finney, et al., 1973, gives eqQ values and their dependence on v. |
| 7 | Thermochemical value [ Brewer and Brackett, 1961, Stull and Prophet, 1971; flame photometry, Bulewicz, Phillips, et al., 1961]. |
| 8 | Onset of a broad photoelectron peak with maximum at 8.80 eV, not corrected for thermal population of ground state levels Potts, Williams, et al., 1974. See also Goodman, Allen, et al., 1974. |
| 9 | From D00(NaBr) + I.P.(Na) - I.P.(NaBr). Potts, Williams, et al., 1974 give 0.49 eV using a corrected value of I.P.(NaBr). |
| 10 | From band maxima in the photoelectron spectrum Goodman, Allen, et al., 1974, Potts, Williams, et al., 1974. |
References
Go To: Top, Reaction 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.
Lord and Woolf, 1954
Lord, G.; Woolf, A.A.,
The cyanogen halides. Part III. Their heats of formation and free energies,
J. Chem. Soc., 1954, 2546-2551. [all data]
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]
De Vreugd, Wijnaendts van Resandt, et al., 1979
De Vreugd, C.; Wijnaendts van Resandt, R.W.; Los, J.; Smith, B.,
Differential Cross Sections for Collisions of Negative Halogen Ions and Alkali Atoms,
Chem. Phys., 1979, 42, 3, 305, https://doi.org/10.1016/0301-0104(79)80078-6
. [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]
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]
Muller, 1927
Muller, L.A.,
4. absorptionsspektren der alkalihalogenide in wasseriger losung und im dampf,
Ann. Phys. (Leipzig), 1927, 82, 39. [all data]
Beutler and Josephy, 1929
Beutler, H.; Josephy, B.,
Resonanz bei Stoben in der fluoreszenz und chemilumineszenz,
Z. Phys., 1929, 53, 747. [all data]
Levi, 1934
Levi,
Dissertation, Berlin, 1934, 0. [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]
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]
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]
Earl and Herm, 1974
Earl, B.L.; Herm, R.R.,
Photodissociation of NaBr, Nal, and Kl vapors and collisional quenching of Na* (32P), K* (42P), and K* (52P) by foreign gases,
J. Chem. Phys., 1974, 60, 4568. [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]
Melendres, 1968
Melendres,
Thesis, University of California, California, 1968, 1. [all data]
Miller, Finney, et al., 1973
Miller, C.E.; Finney, A.A.; Inman, F.W.,
Rotational and hyperfine structure constants for groups IA and IIIA monohalide and monohydride molecules,
At. Data, 1973, 5, 1. [all data]
Brewer and Brackett, 1961
Brewer, L.; Brackett, E.,
The dissociation energies of gaseous alkali halides,
Chem. Rev., 1961, 61, 425. [all data]
Stull and Prophet, 1971
Stull, D.R.; Prophet, H.,
JANAF Thermochemical Tables. Second Edition, Office of SRD (NSRDS-NBS 37), Washington, D.C., 1971, 0. [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, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.