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Constants of diatomic molecules

Go To: Top, 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 January, 1977

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 127I2
The absorption spectrum from 450000 to 870000 cm-1 (55.8 to 107.9 eV) at low resolution has been described by Myer and Samson, 1970. It corresponds to excitation from 4d shell to various unfilled orbitals.
Comes, Nielsen, et al., 1973
The absorption spectrum in the VUV region at high resolution has most recently been photographed by Venkateswarlu, 1970 who gives an extensive table of observed features in the region 56500 - 75800 cm-1. Most of the bands are assigned to extended Rydberg series converging to a common limit at 75814 cm-1 (9.400 eV), a smaller number to fragments of series converging to 80895 cm-1 (10.03 eV). The limits are assumed to correspond to v=0 of X 2 Pig, 3/2 and 1/2, respectively, of I2+; see, however, 1. Several of the progressions observed in absorption Venkateswarlu, 1970 appear to correspond to emission bands recorded by Haranath and Rao, 1958 under medium resolution in the region 56000 - 68000 cm-1 and classified by them as belonging to twelve systems. See also Cordes, 1935 Myer and Samson, 1970*.
Haranath and Rao, 1958; missing citation
I (51973) 2 112.4 H 0.705 0.004       I rarrow (B) 2 R 36197 H
Venkateswarlu, 1951; Verma, 1959; Mulliken, 1971
(H) (46063) 103.7 H 0.095        (H rarrow B) 3 R 30283 H
Verma, 1959; Mulliken, 1971
F (1Sigmau+) 6 47217.8 95.955 H 0.3623       (3.6) 4 F lrarrow X 5 R 47158.6 H
Verma, 1959; Mulliken, 1971; missing citation
F' 45230 93.4 H 0.6        F' rarrow X 7 R 45169 H
Haranath and Rao, 1958
G' (3Pi1g) 9 (42300) 8          G' larrow A 
Skorko, 1933; Mulliken, 1971
E 3Pio+g 9 41411.4 101.59 H 0.2380       (3.65) E rarrow B 10 R 25630.5 H
Haranath and Rao Prasada, 1960; Mulliken, 1971; Wieland, Tellinghuisen, et al., 1972
D 1Sigmau+ 13 (40679) 104.41 H 0.2343 11 0.00045       D lrarrow X 12 R (40624)
missing citation; Mulliken, 1971; Mulliken, 1971
G 3Pi2g 9 (40300) 14          G larrow A' 15 
Skorko, 1933; Mulliken, 1971
C 3Sigma1u+ 13 16          C larrow X 
Kortum and Friedheim, 1947; Mathieson and Rees, 1956; Mulliken, 1971
B" 1Pi1u 19 17          B" lrarrow X 18 
Oldman, Sander, et al., 1971; Tellinghuisen, 1973; Brown and Burns, 1974
B' 3Pi0-u 19 20           
B 3Pi0+u 19 15769.01 125.697 Z 0.7642 21 22  0.029039 23 24 0.0001582 25 22  5.43E-9 26 0.30E-9 3.0247 B lrarrow X 18 27 28 R 15724.57 29 Z
Barrow and Yee, 1973; missing citation; Wei and Tellinghuisen, 1974
A 3Pi1u 19 (11888) (44.0) 30 H (1.0)  30      A larrow X 31 R (11803) 30
Brown, 1931; Tellinghuisen, 1973
A' 3Pi2u 19 (10100) 32           
X 1Sigmag+ 0 214.502 33 Z 0.6147 33  0.037372 33 34 0.0001138 33  4.25E-9 35 3.2E-10 2.6663 36  
Kiefer and Bernstein, 1972; Williams, Rousseau, et al., 1974


1From the photoelectron spectrum Potts and Price, 1971, Higginson, Lloyd, et al., 1973; adiabatic potential established by temperature variation. The same method yields 9.953 eV for the ionization potential to 2Pi1/2g(v=0). Neither result agrees with the values obtained by Venkateswarlu, 1970 from Rydberg series, i.e. 9.400 and 10.03 eV. The discrepancy could be understood if the Rydberg series were to correspond to v'=3, but the absence of series with v' = 0, 1, 2 would still be puzzling.
2Weak emission bands in the presence of foreign gases, 2785-2731 . Te is based on the assumption that the lower state is the B state, but Mulliken, 1971, has suggested that instead it may be the D state leading to Te ~ 76872 cm-1 Mulliken, 1971.
3Strong emission bands in the presence of foreign gases, 3460 - 3015 Angstroms. It is by no means certain that the lower state has been correctly identified as the B state. Mulliken, 1971, suggests that the bands arise from the transition G rarrow A'.
4From the intensity distribution and Franck-Condon principle Mulliken, 1971, Wieland, Tellinghuisen, et al., 1972.
5In emission in electric discharges in the presence of foreign gases, 2740 - 2490 . Also observed for 129 I2, confirming the vibrational numbering. Emission bands in the region 2240 - 1950 Angstroms are assigned by Haranath and Rao, 1958, to a separate system (called H rarrow X), with v00 = 48072 and w ~ 79. It seems, however, possible that these bands belong to F rarrow X.
7The analysis of this fairly extensive system [2400 - 2240 , called E rarrow X by Haranath and Rao, 1958] is not yet supported by isotope studies, nor is it seen in absorption.
8Suggested upper state of high temperature absorption "continuum" shortward of 3263 (30640 cm-1)
10Emission bands in the presence of foreign gases, 4400 - 4000 . Also observed for 129I2, confirming the vibrational numbering. The E rarrow B fluorescence spectrum following two-photon absorption Rousseau and Williams, 1974, consists of transitions both to the discrete and to the continuous part of B, the latter giving rise to diffuse bands ("structured" continuum) Tellinghuisen, 1975. From a comparison of the calculated with the observed intensity distribution Tellinghuisen, 1975, obtains the potential function of E as well as the variation of the transition moment with r. The lifetime of E rarrow B is 27 ns Rousseau, 1975 confirming that this is an allowed transition and that the E state is 3Pi0+g.
11The v' numbering is uncertain and, therefore, the vibrational constants are subject to change.
12The system includes the absorption bands of Pringsheim and Rosen, 1928, Kimura and Miyanishi, 1929, Cordes, 1935, remeasured by Nobs and Wieland, 1966. It also includes the resonance series of Verma, 1960 in the region 1830 - 2370 which arise from very high vibrational levels (v' ~ 195), of the D state excited by the 1830 atomic line of iodine. The system further includes the diffuse emission bands in the region 2500 - 5000 with a characteristic group near 3250 [McLennan bands McLennan, 1913]. The diffuse bands have been recognized by Mulliken, 1971, to correspond to transitions from D to the continuum of X [Condon diffraction bands, see also Tellinghuisen, 1974]. Earlier summaries Mathieson and Rees, 1956, Haranath and Rao, 1958, Venkateswarlu, 1970 gave an electronic state at Te = 51427.9 with omegae = 169.41, omegaexe = 0.941, omegaeye = +0.0022 which was to represent the Cordes absorption bands from 1950 to 1795 Cordes, 1935. Following Mulliken, 1971, Mulliken, 1971, we consider these bands as part of D larrow X.
13Configuration . . . sigmagpiu4pig4sigmau.
14Suggested upper state of high temperature absorption "continuum" shortward of 3427 (29170 cm-1)
15The G rarrowA' transition has been observed to lase strongly when mixtures of HI or CF3I or CH3I with argon (1000 - 4000 torr), are excited by a pulsed high current electron beam Hays, Hoffman, et al., 1976. See also H rarrow B footnote 3.
16Repulsive state from 2P3/2 + 2P1/2 responsible for a weak but broad absorption continuum with maximum at 2700 (37000 cm-1). 38
17Repulsive state from 2P3/2 + 2P3/2, responsible for absorption continuum with maximum at 20050 cm-1 and for the predissociation of B 3Pi0+u.
18f values based on magnetic circular dichroism spectra have been estimated as 0.0018 (B"larrowX) and 0.009 (B larrowX) and have been compared with earlier results Brith, Rowe, et al., 1975. For a comparison of theoretical and observed intensities in the B rarrow X resonance series see Zare, 1964.
19Configuration . . . sigmag2piu4pig3sigmau.
20Repulsive state from 2P3/2 + 2P3/2. The previous assignment of B' as the state responsible for the magnetic field induced predissociation of B is now in doubt; See 23.
21-0.00178(v +1/2)3 - 0.0000738(v+1/2)4 + 0.00000103(v+1/2)5, from levels with 4leqvleq50 Barrow and Yee, 1973.
22Somewhat different constants, valid for 4leqvleq77, are given by Wei and Tellinghuisen, 1974, Te = 15768.32, omegae = 126.165, omegaexe = 0.8673, ..., Be = 0.028939, alphae = 0.0001204, ... (using calculated Dv values); see also Brown, Burns, et al., 1973, Tellinghuisen, 1976. RKR potential curve Barrow and Yee, 1973. For a discussion of the long-range potential and DeltaG, Bv values near the dissociation limit see LeRoy and Bernstein, 1971, LeRoy, 1972, Barrow and Yee, 1973, Le Roy, 1973, Yee, 1973, LeRoy, 1974.
23Collision induced predissociation of the B state missing citation; magnetic field induced predissociation Degenkolb, Steinfeld, et al., 1969, Capelle and Broida, 1972, Chapman and Bunker, 1972; spontaneous predissociation Tellinghuisen, 1972; hyperfine predissociation Broyer, Vigue, et al., 1976. The purely radiative lifetime Brewer and Tellinghuisen, 1972, Tellinghuisen, 1972, Broyer, Vigue, et al., 1976, increases smoothly from tau= 0.91 mus at v=7 to approximately tau= 10 mus at the highest observed levels. The measured lifetimes Brewer and Tellinghuisen, 1972, missing citation, Capelle and Broida, 1973, Keller, Broyer, et al., 1973, Paisner and Wallenstein, 1974, Broyer, Vigue, et al., 1975 are considerably reduced by spontaneous predissociation due to rotational and hyperfine mixing with B" 1Pi1u, the latter leading to differences in lifetime between ortho and para levels Broyer, Vigue, et al., 1976. Only near v=12 and above v~50 are the actual lifetimes close to the purely radiative ones. The magnetic field-induced predissociation of B 3Pi0+u was previously assumed to be caused by B' 3Pi0-u, and a potential function for this latter state was derived from magnetic quenching data Chapman and Bunker, 1972, Child, 1973. The recent observation, however, of a quantum interference effect between magnetic and spontaneous predissociations Broyer, Vigue, et al., 1973, Vigue, Broyer, et al., 1974, Vigue, Broyer, et al., 1975 has established that the magnetic predissociation, too, is produced by the B" 1Pi1u state.
24gJ varies from -0.059 at low v to -5.45 muN near the dissociation limit; from Hanle effect observations Broyer and Lehmann, 1972, Broyer, Lehmann, et al., 1975, Gouedard, Broyer, et al., 1976, Gouedard, Broyer, et al., 1976, 2. See also Wallenstein, Paisner, et al., 1974.
25-3.36E-7(v+1/2)2 - 4.78E-8(v+1/2)3 + 3.26E-10(v+1/2)4, from levels with 4leqvleq77 Barrow and Yee, 1973.
26For v leq 10 Barrow and Yee, 1973. Dv increases rapidly above v=20; for more details see Brown, Burns, et al., 1973, Wei and Tellinghuisen, 1974.
27The continuum joining onto the discrete bands is overlapped by the B"larrow X continuum. A resolution of these two continua and the A larrowX continuum was given by Tellinghuisen, 1973,. See also Tellinghuisen, 1973, 2.
28The hyperfine structure of several lines has been observed by various high resolution laser techiques; electric quadrupole, magnetic octupole, and other magnetic hfs constants have been evaluated Hanes and Dahlstrom, 1969, Kroll, 1969, Hansch, Levenson, et al., 1971, Hanes, Lapierre, et al., 1971, Sorem, Levenson, et al., 1971, Levenson and Schawlow, 1972, Sorem, Hansch, et al., 1972, Youmans, Hackel, et al., 1973, Ruben, Kukolich, et al., 1973, Bunker and Hanes, 1974, missing citation; similar analyses for 129I2 and 127,129I2 Tesic and Pao, 1975.
29Extrapolated from data with v' geq 4. The vibrational numbering, changed Steinfeld, Zare, et al., 1965, by 1 from the previous table in MOLSPEC 1, has been confirmed by isotope studies Brown and James, 1965.
30 Tellinghuisen, 1973, suggests that the v'=4 numbering of Brown, 1931, may have to be raised substantially. Preliminary results of a rotational analysis Ashby, 1975, of nine bands in the A larrowX, v"=5 progression and of three bands in the v"=4 progression indicate that w' ~ 57.5 Ashby, 1975, w'x' ~ 1.85 Ashby, 1975, B'(for the lowest analyzed level) = 0.02375 Ashby, 1975, alpha' ~ 0.0005 Ashby, 1975.
31The continuum joining onto the discrete bands has been studied by many investigators, most recently by Tellinghuisen, 1973, who derives an f value of f= 0.00062 Tellinghuisen, 1973; see also Brith, Rowe, et al., 1975.
32Suggested as lower state of high temperature absorption bands near 3427 Mulliken, 1971 Mulliken, 1971.
33These constants Barrow and Yee, 1973, represent the levels v=0-5; Wei and Tellinghuisen, 1974, for v=0-6, give omegae = 214.582, omegaexe = 0.6243, Be = 0.037363, alphae = 0.0001145 using calculated Dv values. On the basis of the resonance series of Rank and Baldwin, 1951, Rank and Rao, 1964 and Verma, 1960, LeRoy, 1970 has given polynomial formulae for G(v), Bv, and Dv valid up to v = 82; omegae = 214.548, omegaexe = 0.6163 , ...Be = 0.037395, alphae = 0.0001244, ... ,De = 4.54E-9, betae = 0.017E-9;... The most accurate constants for v = 0 were derived Gerstenkorn, Luc, et al., 1977 from the analysis by means of Fourier transform spectroscopy of the BlarrowX, 30-0 bands: B0 = 0.0373115, D0 = 4.55E-9, H0 = -0.76E-15. The vibrational levels of the ground state have been observed up to v = 84 [D rarrow X resonance series Verma, 1960], i.e. to within 400 cm-1 of the dissociation limit. The levels v" = 98...115 originally reported by Verma, 1960, were found to be due to an NO impurity Verma and LeRoy, 1974. As a consequence the RKR potential function of Verma, 1960, must be corrected at high v. The RKR curves of Zare, 1964 and LeRoy, 1970 extend only to v = 82 and are unaffected by this correction. 35 see 33.
34gJ(v=0, J=12,14)=9.l3E-4 muN Solarz and Levy, 1972 from non-linear level crossing.
35missing note
36Raman sp. 39
37From the convergence of the vibrational levels in the B 3Pi0+u state Barrow, Broyd, et al., 1973, Barrow and Yee, 1973.
38Nature of the upper state (1u) and of the dissociation products confirmed by photofragment spectroscopy Clear and Wilson, 1973.
39High resolution resonance Raman spectra of I2 vapor up to the eleventh overtone (12-0). Raman spectra in rare gas matrices Howard and Andrews, 1974.


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.

Myer and Samson, 1970
Myer, J.A.; Samson, J.A.R., Absorption cross section and photoionization yield of I2 between 1050 and 2200 A, J. Chem. Phys., 1970, 52, 716. [all data]

Comes, Nielsen, et al., 1973
Comes, F.J.; Nielsen, U.; Schwarz, W.H.E., Inner electron excitation of iodine in the gaseous and solid phase, J. Chem. Phys., 1973, 58, 2230. [all data]

Venkateswarlu, 1970
Venkateswarlu, P., Vacuum ultraviolet spectrum of the iodine molecule, Can. J. Phys., 1970, 48, 1055. [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]

Cordes, 1935
Cordes, H., Das absorptionsspektrum des jodmolekuls im vakuumultraviolett, Z. Phys., 1935, 97, 603. [all data]

Venkateswarlu, 1951
Venkateswarlu, P., The spectrum of iodine excited in the presence of argon, Phys. Rev., 1951, 81, 821. [all data]

Verma, 1959
Verma, R.D., The spectrum of iodine excited in the presence of argon, Proc. Indian Acad. Sci. Sect. A, 1959, 48, 197. [all data]

Mulliken, 1971
Mulliken, R.S., Iodine revisited, J. Chem. Phys., 1971, 55, 288. [all data]

Skorko, 1933
Skorko, E., Absorption bands of iodine vapour at high temperatures, Nature (London), 1933, 131, 366. [all data]

Haranath and Rao Prasada, 1960
Haranath, P.B.V.; Rao Prasada, T.A., The emission band system of iodine in the blue violet, Indian J. Phys., 1960, 34, 123. [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]

Kortum and Friedheim, 1947
Kortum, G.; Friedheim, G., Lichtabsorption und molekularzustand des jods in dampf und losung, Z. Naturforsch. A, 1947, 2, 20. [all data]

Mathieson and Rees, 1956
Mathieson, L.; Rees, A.L.G., Electronic states and potential energy diagram of the iodine molecule, J. Chem. Phys., 1956, 25, 753. [all data]

Oldman, Sander, et al., 1971
Oldman, R.J.; Sander, R.K.; Wilson, K.R., Reinterpretation of I2 main visible continuum, J. Chem. Phys., 1971, 54, 4127. [all data]

Tellinghuisen, 1973
Tellinghuisen, J., Resolution of the visible-infrared absorption spectrum of I2 into three contributing transitions, J. Chem. Phys., 1973, 58, 2821. [all data]

Brown and Burns, 1974
Brown, J.D.; Burns, G., The thermal emission of iodine, Can. J. Phys., 1974, 52, 1862. [all data]

Barrow and Yee, 1973
Barrow, R.F.; Yee, K.K., B3«PI»0u+ - X1«SIGMA»g+ system of 127I2: rotational analysis and long-range potential in the B3«PI»0u+| state, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 684. [all data]

Wei and Tellinghuisen, 1974
Wei, J.; Tellinghuisen, J., Parameterizing diatomic spectra: "best" spectroscopic constants for the I2 B = X transition, J. Mol. Spectrosc., 1974, 50, 317. [all data]

Brown, 1931
Brown, W.G., An infrared absorption band system of iodine, Phys. Rev., 1931, 38, 1187. [all data]

Kiefer and Bernstein, 1972
Kiefer, W.; Bernstein, H.J., Vibrational-rotational structure in the resonance Raman effect of iodine vapor, J. Mol. Spectrosc., 1972, 43, 366. [all data]

Williams, Rousseau, et al., 1974
Williams, P.F.; Rousseau, D.L.; Dworetsky, S.H., Resonance fluorescence and resonance Raman scattering: lifetimes in molecular iodine, Phys. Rev. Lett., 1974, 32, 196. [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]

Higginson, Lloyd, et al., 1973
Higginson, B.R.; Lloyd, D.R.; Roberts, P.J., Variable temperature photoelectron spectroscopy. The adiabatic ionization potential of the iodine molecule, Chem. Phys. Lett., 1973, 19, 480. [all data]

Rousseau and Williams, 1974
Rousseau, D.L.; Williams, P.F., Discrete and diffuse emission following two-photon excitation of the E state in molecular iodine, Phys. Rev. Lett., 1974, 33, 1368. [all data]

Tellinghuisen, 1975
Tellinghuisen, J., E --> B structured continuum in I2, Phys. Rev. Lett., 1975, 34, 1137. [all data]

Rousseau, 1975
Rousseau, D.L., Lifetime of E --> B transition in molecular iodine, J. Mol. Spectrosc., 1975, 58, 481. [all data]

Pringsheim and Rosen, 1928
Pringsheim, P.; Rosen, B., Uber die bandesysteme im spektrum des J2-dampfes, Z. Phys., 1928, 50, 1. [all data]

Kimura and Miyanishi, 1929
Kimura, M.; Miyanishi, M., A band absorption spectrum of iodine in an extreme ultra-violet region, Sci. Pap. Inst. Phys. Chem. Res. Jpn., 1929, 10, 33. [all data]

Nobs and Wieland, 1966
Nobs, A.; Wieland, K., The ultraviolet absorption spectrum of iodine (I2) vapour - a forgotten problem of old time spectroscopy, Helv. Phys. Acta, 1966, 39, 564. [all data]

Verma, 1960
Verma, R.D., Ultraviolet resonance spectrum of the iodine molecule, J. Chem. Phys., 1960, 32, 738. [all data]

McLennan, 1913
McLennan, J.C., On a fluorescence spectrum of iodine vapour, Proc. R. Soc. London A, 1913, 88, 289. [all data]

Tellinghuisen, 1974
Tellinghuisen, J., The McLennan bands of I2: a highly structured continuum, Chem. Phys. Lett., 1974, 29, 359. [all data]

Hays, Hoffman, et al., 1976
Hays, A.K.; Hoffman, J.M.; Tisone, G.C., Molecular-iodine laser, Chem. Phys. Lett., 1976, 39, 353. [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]

Zare, 1964
Zare, R.N., Calculation of intensity distribution in the vibrational structure of electronic transitions: the B3«PI»0+u-X1«SIGMA»0g+ resonance series of molecular iodine, J. Chem. Phys., 1964, 40, 1934. [all data]

Brown, Burns, et al., 1973
Brown, J.D.; Burns, G.; Le Roy, R.J., Improved spectroscopic data synthesis for I2(B3«PI»0u+) and predictions of J dependence for B(3«PI»0u+)-X(1«SIGMA»g+) transition intensities, Can. J. Phys., 1973, 51, 1664. [all data]

Tellinghuisen, 1976
Tellinghuisen, J., Reassignment of I2 B-X transitions near 5145 Å, J. Mol. Spectrosc., 1976, 62, 294. [all data]

LeRoy and Bernstein, 1971
LeRoy, R.J.; Bernstein, R.B., Dissociation energies and long-range potentials of diatomic molecules from vibrational spacings: the halogens, J. Mol. Spectrosc., 1971, 37, 109. [all data]

LeRoy, 1972
LeRoy, R.J., Dependence of the diatomic rotational constant Bv on the long-range internuclear potential, Can. J. Phys., 1972, 50, 953. [all data]

Le Roy, 1973
Le Roy, R.J., Chapt. 3. Energy levels of a diatomic near dissociation 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, 113-175. [all data]

Yee, 1973
Yee, K.K., Analysis of RKR long-range potential of the B3«PI»0u+ state of I2, Chem. Phys. Lett., 1973, 21, 334. [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]

Degenkolb, Steinfeld, et al., 1969
Degenkolb, E.O.; Steinfeld, J.I.; Wasserman, E.; Klemperer, W., Vibrational dependence of the magnetic quenching in iodine, J. Chem. Phys., 1969, 51, 615. [all data]

Capelle and Broida, 1972
Capelle, G.A.; Broida, H.P., Magnetic field dependence of I2 B-state lifetimes, J. Chem. Phys., 1972, 57, 5027. [all data]

Chapman and Bunker, 1972
Chapman, G.D.; Bunker, P.R., Magnetic quenching of iodine fluorescence excited by a 6328 Å He/Ne laser, J. Chem. Phys., 1972, 57, 2951. [all data]

Tellinghuisen, 1972
Tellinghuisen, J., Spontaneous predissociation in I2, J. Chem. Phys., 1972, 57, 2397. [all data]

Broyer, Vigue, et al., 1976
Broyer, M.; Vigue, J.; Lehmann, J.-C., Hyperfine predissociation of molecular iodine, J. Chem. Phys., 1976, 64, 4793. [all data]

Brewer and Tellinghuisen, 1972
Brewer, L.; Tellinghuisen, J., Quantum yield for unimolecular dissociation of I2 in visible absorption, J. Chem. Phys., 1972, 56, 3929. [all data]

Capelle and Broida, 1973
Capelle, G.A.; Broida, H.P., Lifetimes and quenching cross sections of I2(B3«PI»0+u), J. Chem. Phys., 1973, 58, 4212. [all data]

Keller, Broyer, et al., 1973
Keller, C.; Broyer, M.; Lehmann, J.-C., Mesure directe de la duree de vie des facteurs de lande du niveau 3«PI»0u+, v'=62, J'=27 de la molecule I2, C.R. Acad. Sci. Paris, Ser. B, 1973, 277, 369. [all data]

Paisner and Wallenstein, 1974
Paisner, J.A.; Wallenstein, R., Rotational lifetimes and self-quenching cross sections in the B3«PI»0u+ state of 127I2, J. Chem. Phys., 1974, 61, 4317. [all data]

Broyer, Vigue, et al., 1975
Broyer, M.; Vigue, J.; Lehmann, J.C., Direct evidence of the natural predissociation of the I2B state through systematic measurements of lifetimes, J. Chem. Phys., 1975, 63, 5428. [all data]

Child, 1973
Child, M.S., Direct inversion of magnetic fluorescence quenching data for the B3«PI»(0u+) state of iodine, J. Mol. Spectrosc., 1973, 45, 293. [all data]

Broyer, Vigue, et al., 1973
Broyer, M.; Vigue, J.; Lehmann, J.-C., Two unexpected effects concerning perturbations of the B3«PI»0+u state of molecular iodine, Chem. Phys. Lett., 1973, 22, 313. [all data]

Vigue, Broyer, et al., 1974
Vigue, J.; Broyer, M.; Lehmann, J.C., Quantum interference effect between the magnetic and natural predissociations in the B3«PI»0+u state of I2. A new experimental proof, J. Phys. B:, 1974, 7, 158. [all data]

Vigue, Broyer, et al., 1975
Vigue, J.; Broyer, M.; Lehmann, J.-C., Predissociation effects in the B3«PI»0u+ state of iodine, J. Chem. Phys., 1975, 62, 4941. [all data]

Broyer and Lehmann, 1972
Broyer, M.; Lehmann, J.C., Rotational Lande factors in the B3«PI»0u+ state of iodine, Phys. Lett. A, 1972, 40, 43. [all data]

Broyer, Lehmann, et al., 1975
Broyer, M.; Lehmann, J.-C.; Vigue, J., g Factors and lifetimes in the B state of molecular iodine, J. Phys. (Paris), 1975, 36, 235. [all data]

Gouedard, Broyer, et al., 1976
Gouedard, G.; Broyer, M.; Vigue, J.; Lehmann, J.C., Comment on Lande factors and chemical shifts in molecular iodine, Phys. Rev. Lett., 1976, 36, 906. [all data]

Gouedard, Broyer, et al., 1976, 2
Gouedard, G.; Broyer, M.; Vigue, J.; Lehmann, J.C., Anomalous behaviour of the Lande factors and the chemical shift close to the dissociation limit of the B state of molecular iodine, Chem. Phys. Lett., 1976, 43, 118. [all data]

Wallenstein, Paisner, et al., 1974
Wallenstein, R.; Paisner, J.A.; Schawlow, A.L., Observation of Zeeman quantum beats in molecular iodine, Phys. Rev. Lett., 1974, 32, 1333. [all data]

Tellinghuisen, 1973, 2
Tellinghuisen, J., Continuous absorption below the band convergence limit in the I2 B <-- X transition, J. Chem. Phys., 1973, 59, 849. [all data]

Hanes and Dahlstrom, 1969
Hanes, G.R.; Dahlstrom, C.E., Iodine hyperfine structure observed in saturated absorbtion at 633 nm, Appl. Phys. Lett., 1969, 14, 362. [all data]

Kroll, 1969
Kroll, M., Hyperfine structure in the visible molecular-iodine absorption spectrum, Phys. Rev. Lett., 1969, 23, 631. [all data]

Hansch, Levenson, et al., 1971
Hansch, T.W.; Levenson, M.D.; Schawlow, A.L., Complete hyperfine structure of a molecular iodine line, Phys. Rev. Lett., 1971, 26, 946. [all data]

Hanes, Lapierre, et al., 1971
Hanes, G.R.; Lapierre, J.; Bunker, P.R.; Shotton, K.C., Nuclear hyperfine structure in the electronic spectrum of 127I2 by saturated absorption spectroscopy, and comparison with theory, J. Mol. Spectrosc., 1971, 39, 506. [all data]

Sorem, Levenson, et al., 1971
Sorem, M.S.; Levenson, M.D.; Schawlow, A.L., Saturation spectroscopy of molecular iodine using the 5017 Å argon laser line, Phys. Lett. A, 1971, 37, 33. [all data]

Levenson and Schawlow, 1972
Levenson, M.D.; Schawlow, A.L., Hyperfine interactions in molecular iodine, Phys. Rev. A: Gen. Phys., 1972, 6, 10. [all data]

Sorem, Hansch, et al., 1972
Sorem, M.S.; Hansch, T.W.; Schawlow, A.L., Nuclear quadrupole coupling in the 1«SIGMA»g+ and 3«PI»0u+ states of molecular iodine, Chem. Phys. Lett., 1972, 17, 300. [all data]

Youmans, Hackel, et al., 1973
Youmans, D.G.; Hackel, L.A.; Ezekiel, S., High-resolution spectroscopy of I2 using laser-molecular-beam techniques, J. Appl. Phys., 1973, 44, 2319. [all data]

Ruben, Kukolich, et al., 1973
Ruben, D.J.; Kukolich, S.G.; Hackel, L.A.; Youmans, D.G.; Ezekiel, S., Laser-molecular beam measurement of hyperfine structure in the I2 spectrum, Chem. Phys. Lett., 1973, 22, 326. [all data]

Bunker and Hanes, 1974
Bunker, P.R.; Hanes, G.R., Nuclear spin-spin coupling in the spectrum of I2 at 6328 Å, Chem. Phys. Lett., 1974, 28, 377. [all data]

Tesic and Pao, 1975
Tesic, M.; Pao, Y.-H., Theoretical assignment of the observed hyperfine structure in the saturated absorption spectra of I2129 and I127I129 vapors in the 633 nm wavelength region, J. Mol. Spectrosc., 1975, 57, 75. [all data]

Steinfeld, Zare, et al., 1965
Steinfeld, J.I.; Zare, R.N.; Jones, L.; Lesk, M.; Klemperer, W., Spectroscopic constants and vibrational assignment for the B3«PI»0u+ state of iodine, J. Chem. Phys., 1965, 42, 25. [all data]

Brown and James, 1965
Brown, R.L.; James, T.C., Isotopic determination of the vibrational numbering for the B3«PI»0u+ state of iodine, J. Chem. Phys., 1965, 42, 33. [all data]

Ashby, 1975
Ashby, Private communication cited in Huber and Herzberg, 1979, 1975, 337. [all data]

Rank and Baldwin, 1951
Rank, D.H.; Baldwin, W.M., Molecular constants of the ground state of the I2 molecule, J. Chem. Phys., 1951, 19, 1210. [all data]

Rank and Rao, 1964
Rank, D.H.; Rao, B.S., Molecular constants of the ground state of I2, J. Mol. Spectrosc., 1964, 13, 34. [all data]

LeRoy, 1970
LeRoy, R.J., Molecular constants and internuclear potential of ground-state molecular iodine, J. Chem. Phys., 1970, 52, 2683. [all data]

Gerstenkorn, Luc, et al., 1977
Gerstenkorn, S.; Luc, P.; Perrin, A., Rotational analysis of the 5350 Å band of iodine by means of Fourier transform spectroscopy, J. Mol. Spectrosc., 1977, 64, 56. [all data]

Verma and LeRoy, 1974
Verma, R.D.; LeRoy, R.J., Comment on the uv resonance spectrum and ground-state dissociation energy of I2, J. Chem. Phys., 1974, 61, 438. [all data]

Solarz and Levy, 1972
Solarz, R.; Levy, D.H., Non-linear level crossing in the X1«SIGMA»g+ state of iodine, Chem. Phys. Lett., 1972, 17, 35. [all data]

Barrow, Broyd, et al., 1973
Barrow, R.F.; Broyd, D.F.; Pederson, L.B.; Yee, K.K., The dissociation energies of gaseous Br2 and I2, Chem. Phys. Lett., 1973, 18, 357. [all data]

Clear and Wilson, 1973
Clear, R.D.; Wilson, K.R., Assignment of continuous spectra by photofragment spectroscopy: C state of I2, J. Mol. Spectrosc., 1973, 47, 39. [all data]

Howard and Andrews, 1974
Howard, W.F., Jr.; Andrews, L., Matrix Raman spectra of the molecular halogens: resonance Raman spectra of isolated and aggregated I2, J. Raman Spectrosc., 1974, 2, 447. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Company, New York, 1979, 716. [all data]


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