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Bromine

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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 September, 1976

Symbols used in the table of constants
SymbolMeaning
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 79Br2
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
RydbergFragments of additional Rydberg series converging to A 2Piu of Br2+.
missing citation
Rydberg series converging to X2 2Pig,3/2 of Br2+ : nu = 88306 1 - R/(n-delta)2 , delta = 2.416, 2.446, 2.591, 2.629, n = 5,6,7.
missing citation
Rydberg series converging to X1 2Pig,3/2 of Br2+ : nu = 85165 2 - R/(n-1.843)2 ,n=5,...,12.
missing citation
Rydberg series converging to X1 2Pig,3/2 of Br2+ : nu = 85165 2 - R/(n-1.938)2 ,n=5,...,18.
missing citation
Rydberg series converging to X1 2Pig,3/2 of Br2+ : nu = 85165 2 - R/(n-delta)2 , delta = 2.225, 2.422, 2.593, n = 5,...,20.
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
N 76537 230 3         N larrow X R 76491 H
missing citation
M 74060 241 3 H (0.3)        M larrow X R 74019 H
missing citation
L 72727 218 3 H 3        L larrow X R 72674 H
missing citation
Several groups of diffuse emission bands in the region 23600 - 50000 cm-1 have been assigned Venkateswarlu, 1947 to transitions from four states at 47000, 55534, 61444, 66500 cm-1 to various repulsive states arising from Br(2P3/2,1/2) + Br(2P3/2,1/2) .
Venkateswarlu, 1947
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
(K ) 4           (K) larrow X 
Venkateswarlu, 1969
(K)  293 3 5         l rarrow X R 62266 H
Haranath and Rao, 1958
(K )  426 3 5         M rarrow X V 60879 H
Haranath and Rao, 1958
(K)  281 3 5         L rarrow X R 59855 H
Haranath and Rao, 1958
  6          
Rao and Venkateswarlu, 1964
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
H (56820) 108 3 7 1.5        H rarrow B (40890) 7
Verma, 1958
G 56337 (255) $eH         G rarrow X $gR 56303 H
Haranath and Rao, 1958
F 52191 (120) 3 H         F rarrow X 8 R 52090 H
Haranath and Rao, 1958
E 51634.0 150.9 3 0.495 9        E lrarrow B 10 35724 3
Venkateswarlu and Verma, 1958; missing citation; Wieland, Tellinghuisen, et al., 1972
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
D 48499 162 3 0.29        D rarrow B 32595
Venkateswarlu and Verma, 1958, 2
C 1Piu 1u (24000) 11          C 12 larrow X (24000)
Cordes and Sponer, 1930; Aickin and Bayliss, 1938; Mulliken, 1940; Rees, 1947; Bayliss and Sullivan, 1954; Coxon, 1973
B 3Piu 0u+ 15902.47 167.607 Z 1.6361 13 -0.009369 0.059589 14 15 16 0.0004891  3.013E-08 17  2.67757 B lrarrow X 12 18 16 R 15823.47 Z
missing citation; missing citation; Holzer, Murphy, et al., 1970; Barrow, Clark, et al., 1974; Ault, Howard, et al., 1975
A 3Piu 1u 13905 153 3 H 2.7 19  0.0588 20 21 (0.0008)    2.695 A lrarrow X 12 18 21 R 13818 22
Horsley, 1967; missing citation; Coxon, 1972
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 1Sigmag+ 0 325.321 Z 1.0774 -0.002298 0.082107 23 0.0003187 -0.000001045 2.092E-08 17  2.28105 24  

Notes

1The interval of 3141 cm-1 between X1 2Pi3/2 and X2 2Pi1/2 of Br2+ derived from the Rydberg series does not agree with the value 2820 cm-1 from the photoelectron spectrum Cornford, Frost, et al., 1971. The discrepancy may be accounted for by assuming that instead of v'=0 as suggested in Venkateswarlu, 1969 the 2Pi1/2 series listed here have v'=2 while the 2Pi3/2 series have v'=1 (see 2).
2According to the photoionization and photoelectron value of the ionization potential (see 26) the five 2Pi3/2 Rydberg series in the table refer to v'=l. Vibrational structure; see Venkateswarlu, 1969.
3Normal isotopic mixture.
4Extensive system of absorption bands in the region 59000 - 67000 cm-1; no analysis. This system may include transitions to the upper states of:
5a) emission systems of Haranath and Rao, 1958
6b) a long resonance series (63817 - 53779 cm-1).
7The vibrational analysis is doubtful since only v"=21-32 were observed. v00 (extrapolated) and Te are different from Verma, 1958 to allow for the new data on the B state Barrow, Clark, et al., 1974.
8System H-X of Haranath and Rao, 1958, not observed in absorption.
9omegaeze= +0.000065; vibrational constants from the reanalysis Wieland, Tellinghuisen, et al., 1972 of the emission data of Venkateswarlu and Verma, 1958 and the absorption data of Briggs and Norrish, 1963. See 10 .
10It is not entirely certain that the lower state is B 3Piu,0+ and not A 3Piu,1.
11Several absorption continua beyond 19580 cm-1 corresponding to a number of electronic transitions including that to C 1Piu with maximum at 24000 cm-1.
12Also observed in magnetic circular dichroism Brith, Rowe, et al., 1975 and photofragment Oldman, Sander, et al., 1975 spectra. The latter authors confirm Mulliken's Mulliken, 1940 prediction that C 1Piu dissociates into 2Pi3/2 + 2Pi3/2 and observe evidence for several excited g states by two-photon photofragment studies near 28000 and 38000 cm-1.
13(for vleq8). Vibrational levels observed to v=55, dissociation limit (2P3/2+2P1/2) at 19579.76 cm-1 above X 1Sigmag+(v=0,J=0). See 16. Absorption in the B 0u+ continuum Bondybey, Bearder, et al., 1976.
14Hfs observed in v=12 (81Br2) and v=17(79Br2); see Eng and LaTourrette, 1974.
15Predissociation was observed Lum and McAfee, 1975, Lum and Hozack, 1975 for v=42, J=33 by the laser-molecular beam technique. B rarrow X emitted in the recombination of Br(2P3/2) atoms shows strong enhancement of bands with 5<v'< 10 presumably on account of inverse predissociation Clyne, Coxon, et al., 1971. See also 18.
16RKR potential function and Franck-Condon factors Coxon, 1971, Barrow, Clark, et al., 1974. For the behavior of the potential function near the dissociation limit 13 see Goscinski, 1972, Yee and Stone, 1973, LeRoy, 1974.
17Dv and higher order constants in Barrow, Clark, et al., 1974.
18Estimated radiative lifetimes for A and B range from 1000 to 2000 and 12 to 70 mus, respectively Coxon, 1972, Coxon, 1973, Bondybey, Bearder, et al., 1976. For the B state Capelle, Sakurai, et al., 1971 find total lifetimes of the order of 1 mus; minima (~0.2 mus) occur for v=1 and 14 probably on account of predissociation. For lifetimes near the dissociation limit 13 of B see McAfee and Hozack, 1976.
19Convergence limit for 79Br2 at 15894.6 cm-1 above X 1Sigmag+ (v=0,J=0), corresponding to 2P3/2 + 2P3/2. A weak continuous spectrum joins onto the limit and overlaps the main absorption system B larrow X; see Sulzmann, Bien, et al., 1967.
20Extrapolated from v=7; constants for v=0.. .6 have not been determined. Bv, Dv, Hv, and Lambda-type doubling constants for v=7...24 in Coxon, 1972.
21RKR potential function and Franck-Condon factors Coxon, 1972.
22Based on DeltaG'(v=0-7) from low-resolution emission spectra Clyne and Coxon, 1967 of normal Br2 and the origin of the 7-0 79Br2 band at 14739.14 cm-1 derived from Coxon, 1972 and Barrow, Clark, et al., 1974.
23RKR potential curve Coxon, 1971, Barrow, Clark, et al., 1974. Hfs observed Eng and LaTourrette, 1974 in v=4 (81Br2) and v=7 (79Br2).
24Raman sp. 29
25From Barrow, Clark, et al., 1974; corresponding values for 79,81Br2 and 81Br2 are 1.97082 and 1.97095 eV (short extrapolation of B 0u+)
26From photoionization Dibeler, Walker, et al., 1970; supported by measurements at different temperatures. In good agreement with 10.51 eV obtained by photoelectron spectroscopy Frost, McDowell, et al., 1967, Cornford, Frost, et al., 1971, Potts and Price, 1971. A slightly higher value, 10.56 eV, was derived Venkateswarlu, 1969 from the Rydberg series in the VUV. It is probable that this value refers to v'=1.
27System J-X of Haranath and Rao, 1958, not observed in absorption.
28(valid for vleq8).
29Resonance Raman spectra in the gas Holzer, Murphy, et al., 1970, 2, Baierl and Kiefer, 1975, in solid argon Ault, Howard, et al., 1975; pure rotational Raman spectrum Baierl, Hochenbleicher, et al., 1975.

References

Go To: Top, 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.

Venkateswarlu, 1947
Venkateswarlu, P., Emission bands of halogens. Part IV. Diffuse bands of bromine, Proc. Indian Acad. Sci. Sect. A, 1947, 25, 138. [all data]

Venkateswarlu, 1969
Venkateswarlu, P., The vacuum ultraviolet spectrum of the bromine molecule, Can. J. Phys., 1969, 47, 2525. [all data]

Haranath and Rao, 1958
Haranath, P.B.V.; Rao, P.T., Band spectra of iodine, chlorine, and bromine in the spectral region 2400-1400 A, J. Mol. Spectrosc., 1958, 2, 428. [all data]

Rao and Venkateswarlu, 1964
Rao, Y.V.; Venkateswarlu, P., Vacuum ultraviolet resonance spectrum of Br2 molecule, J. Mol. Spectrosc., 1964, 13, 288. [all data]

Verma, 1958
Verma, R.D., Emission spectrum of bromine excited in the presence of argon. Part III. The band system in the region 2660-2590 Å, Proc. Indian Acad. Sci. Sect. A, 1958, 47, 196. [all data]

Venkateswarlu and Verma, 1958
Venkateswarlu, P.; Verma, R.D., Emission spectrum of bromine excited in the presence of argon-Part I, Proc. Indian Acad. Sci. Sect. A, 1958, 46, 251. [all data]

Wieland, Tellinghuisen, et al., 1972
Wieland, K.; Tellinghuisen, J.B.; Nobs, A., The band systems E --> B(4000-4360 Å) and F --> X(2530-2740 Å) of 127I2 and 129I2, and the corresponding system E = B of Br2 and Cl2, J. Mol. Spectrosc., 1972, 41, 69. [all data]

Venkateswarlu and Verma, 1958, 2
Venkateswarlu, P.; Verma, R.D., Emission spectrum of bromine excited in the presence of argon. Part II. The band system in the region 3150-2970 Å, Proc. Indian Acad. Sci. Sect. A, 1958, 46, 416. [all data]

Cordes and Sponer, 1930
Cordes, H.; Sponer, H., Die molekulabsorption des chlors, broms, jodchlorids und jodbromids im aubersten ultraviolett, Z. Phys., 1930, 63, 334. [all data]

Aickin and Bayliss, 1938
Aickin, R.G.; Bayliss, N.S., The absorption spectrum of bromine vapour in the region 3400 A to 2200 A, Trans. Faraday Soc., 1938, 34, 1371. [all data]

Mulliken, 1940
Mulliken, R.S., Halogen molecule spectra. II. Interval relations and relative intensities in the long wave-length spectra, Phys. Rev., 1940, 57, 500. [all data]

Rees, 1947
Rees, A.L.G., Note on the interpretation of the visible absorption spectrum of bromine, Proc. Phys. Soc. London, 1947, 59, 1008. [all data]

Bayliss and Sullivan, 1954
Bayliss, N.S.; Sullivan, J.V., Vacuum ultraviolet absorption spectra of iodine and bromine, J. Chem. Phys., 1954, 22, 1615. [all data]

Coxon, 1973
Coxon, J.A., Chapt. 4. Low-lying electronic states of diatomic halogen molecules in Molecular Spectroscopy. Volume 1, Barrow,R.F.; Long,D.A.; Millen,D.J., ed(s)., The Chemical Society, Burlington House, London, W1V 0BN, 1973, 177-228. [all data]

Holzer, Murphy, et al., 1970
Holzer, W.; Murphy, W.F.; Bernstein, H.J., Resonance fluorescence of iodine, bromine, and chlorine gases obtained with argon-ion laser excitation, J. Chem. Phys., 1970, 52, 469. [all data]

Barrow, Clark, et al., 1974
Barrow, R.F.; Clark, T.C.; Coxon, J.A.; Yee, K.K., The B3«PI»0u+ - X1«SIGMA»g+ system of Br2 rotational analysis, Franck-Condon factors, and long range potential in the B0u+ state, J. Mol. Spectrosc., 1974, 51, 428. [all data]

Ault, Howard, et al., 1975
Ault, B.S.; Howard, W.F.; Andrews, L., Laser-induced fluorescence and Raman spectra of chlorine and bromine molecules isolated in inert matrices, J. Mol. Spectrosc., 1975, 55, 217. [all data]

Horsley, 1967
Horsley, J.A., Rotational analysis of the A3«PI»1u - X1«SIGMA»g+ system of bromine, J. Mol. Spectrosc., 1967, 22, 469. [all data]

Coxon, 1972
Coxon, J.A., The extreme red absorption spectrum of Br2, A3«PI»(1u) <-- X1«SIGMA»g+, J. Mol. Spectrosc., 1972, 41, 548. [all data]

Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; McDowell, C.A.; Ragle, J.L.; Stenhouse, I.A., Photoelectron spectra of the halogens, J. Chem. Phys., 1971, 54, 2651. [all data]

Briggs and Norrish, 1963
Briggs, A.G.; Norrish, R.G.W., Transient absorption spectra of chlorine and bromine, Proc. R. Soc. London A, 1963, 276, 51. [all data]

Brith, Rowe, et al., 1975
Brith, M.; Rowe, M.D.; Schnepp, O.; Stephens, P.J., The magnetic circular dichroism spectrum of the halogen molecules I2, Br2, Cl2. Resolution of overlapping continua, Chem. Phys., 1975, 9, 57. [all data]

Oldman, Sander, et al., 1975
Oldman, R.J.; Sander, R.K.; Wilson, K.R., Photofragment spectrum of bromine, J. Chem. Phys., 1975, 63, 4252. [all data]

Bondybey, Bearder, et al., 1976
Bondybey, V.E.; Bearder, S.S.; Fletcher, C., Br2B3«PI»(0u+) excitation spectra and radiative lifetimes in rare gas solids, J. Chem. Phys., 1976, 64, 5243. [all data]

Eng and LaTourrette, 1974
Eng, R.S.; LaTourrette, J.T., Hyperfine spectra of bromine vapor near 633 nm, J. Mol. Spectrosc., 1974, 52, 269. [all data]

Lum and McAfee, 1975
Lum, R.M.; McAfee, K.B., Jr., Direct measurement of spontaneous predissociation using coaxial laser-molecular beams, J. Chem. Phys., 1975, 63, 5029. [all data]

Lum and Hozack, 1975
Lum, R.M.; Hozack, R.S., Identification of selectively excited transitions in Br2 isotopes at 5145 Å, J. Mol. Spectrosc., 1975, 58, 325-327. [all data]

Clyne, Coxon, et al., 1971
Clyne, M.A.A.; Coxon, J.A.; Woon-Fat, A.R., Electronic excitation of bromine to the B3«PI»(0u+) state in the recombination of ground state Br2P2/3 atoms, Trans. Faraday Soc., 1971, 67, 3155. [all data]

Coxon, 1971
Coxon, J.A., The calculation of potential energy curves of diatomic molecules: application to halogen molecules, J. Quant. Spectrosc. Radiat. Transfer, 1971, 11, 443. [all data]

Goscinski, 1972
Goscinski, O., Outer vibrational turning points near dissociation in the B(3«PI»0u+) state of Br2 and Cl2, Mol. Phys., 1972, 24, 655. [all data]

Yee and Stone, 1973
Yee, K.K.; Stone, T.J., Analysis of RKR long-range potentials of the B3«PI»0u+ states of Br2 and Cl2, Mol. Phys., 1973, 26, 1169. [all data]

LeRoy, 1974
LeRoy, R.J., Long-range potential coefficients from RKR turning points: C6 and C8 for B(3«PI»0u+)-state Cl2, Br2, and I2, Can. J. Phys., 1974, 52, 246. [all data]

Capelle, Sakurai, et al., 1971
Capelle, G.; Sakurai, K.; Broida, H.P., Lifetimes and self-quenching cross sections of cibrational levels in the B state of bromine excited by a tunable dye laser, J. Chem. Phys., 1971, 54, 1728. [all data]

McAfee and Hozack, 1976
McAfee, K.B., Jr.; Hozack, R.S., Lifetimes and energy transfer near the dissociation limit in bromine, J. Chem. Phys., 1976, 64, 2491. [all data]

Sulzmann, Bien, et al., 1967
Sulzmann, K.G.P.; Bien, F.; Penner, S.S., Intensity and collision half-width measurements using a laser source. II. Continuum and line absorption of Br2 at 6328 A, J. Quant. Spectrosc. Radiat. Transfer, 1967, 7, 969. [all data]

Clyne and Coxon, 1967
Clyne, M.A.A.; Coxon, J.A., The emission spectra of Br2 and IBr formed in atomic recombination processes, J. Mol. Spectrosc., 1967, 23, 258. [all data]

Dibeler, Walker, et al., 1970
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E., Threshold for molecular photoionization of bromine, J. Chem. Phys., 1970, 53, 4715. [all data]

Frost, McDowell, et al., 1967
Frost, D.C.; McDowell, C.A.; Vroom, D.A., Photoelectron spectra of the halogens and the hydrogen halides, J. Chem. Phys., 1967, 46, 4255. [all data]

Potts and Price, 1971
Potts, A.W.; Price, W.C., Photoelectron spectra of the halogens and mixed halides ICI and lBr, J. Chem. Soc. Faraday Trans., 1971, 67, 1242. [all data]

Holzer, Murphy, et al., 1970, 2
Holzer, W.; Murphy, W.F.; Bernstein, H.J., Resonance Raman effect and resonance fluoroscence in halogen gases, J. Chem. Phys., 1970, 52, 399. [all data]

Baierl and Kiefer, 1975
Baierl, P.; Kiefer, W., Hot band and isotopic structure in the resonance Raman spectrum of bromine vapor, J. Chem. Phys., 1975, 62, 306. [all data]

Baierl, Hochenbleicher, et al., 1975
Baierl, P.; Hochenbleicher, J.G.; Kiefer, W., Pure rotational Raman spectra of 79Br2 and 81Br2, Appl. Spectrosc., 1975, 29, 356. [all data]


Notes

Go To: Top, Constants of diatomic molecules, References