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 November, 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 130Te2
Large number of absorption bands, 40000 - 52000 cm-1 Shin-Piaw, 1938 Migeotte, 1942; tentative assignments to several systems Migeotte, 1942. There are rather frequent coincidences with bands attributed to TeS and TeSe, see Rosen, 1927 of TeS and Hirschlaff, 1932 of TeSe.
B2 (3Sigmau-) 1u     0.03016 1      B2 rarrow X2 R (21282.4) 1 Z
missing citation
B1 (3Sigmau-) 0u+ 22207.4 162.32 2 Z 0.453 3 -1.109E-2 0.032535 4 0.000125    2.8244 B1 rarrow X2 R 20188.6 Z
Yee and Barrow, 1972; missing citation
           B1 lrarrow X1 5 6 R 22165.0 Z
missing citation; Du Parcq and Barrow, 1966; missing citation; Barrow and Du Parcq, 1972
A 0u+ 19450.8 143.588 Z 0.4543 7  0.031238 8 0.000130    2.8824 A lrarrow X1 5 R 19399.1 Z
Barrow and Du Parcq, 1972; Stone and Barrow, 1975
X2 (3Sigmag-) 1g 1974.97 250.033 Z 0.5155 -3.892E-3 0.039820 0.0001002 2.2E-7   2.5530  
X1 (3Sigmag-) 0g+ 0 247.07 Z 0.5148 9 -5.5E-4 0.039681 8 0.000106  [0.44E-8]  2.5574  


1Constants for the only observed vibrational level of this state, from laser-excited fluorescence spectra. The v numbering is unknown (probably 6 ~leq v' ~leq 10).
2The vibrational numbering adopted here was first suggested by Olsson, 1935 and has recently been confirmed by isotope studies Jha and Rao, 1969, Jha, Subbaram, et al., 1969, 97); v' has been increased by +3 units compared to the numbering used by Rosen, 1927, Herzberg, 1950, Prasad and Rao, 1955.
3for v ~< 20, see 4.
4Numerous local perturbations. A much stronger homogeneous perturbation affects levels with v ~geq 20 Jha and Rao, 1969, Jha, Subbaram, et al., 1969,97. Predissociation above v=23 Hirschlaff, 1932, Olsson, 1935, i.e. at ~ 25600 cm-1 above X1 0g+(v=0); induced predissociation below this limit Kondratjew and Lauris, 1934, Olsson, 1935, Olsson, 1937; accidental predissociation of the vibrational type Rosen, 1945.
5Rotational analyses of bands of 128Te2 Barrow and Du Parcq, 1972, extended by Yee and Barrow, 1972.
6Continuous emission with maximum at 19200 cm-1 has been interpreted as recombination continuum Rompe, 1936.
7missing note
8Potentia1 curves Rao, Rao, et al., 1975.
9 Barrow and Du Parcq, 1972.
10A weighted mean Barrow and Du Parcq, 1972 of several values obtained by spectroscopic Jha and Rao, 1969, Barrow and Du Parcq, 1972 and thermochemical Budininkas, Edwards, et al., 1968, Smoes, Mandy, et al., 1972 methods and from a photoionization threshold Berkowitz and Chupka, 1969.
11By photoionization mass-spectrometry Berkowitz and Chupka, 1969, Guyon and Berkowitz, 1971. Similar values from the photoelectron spectrum Berkowitz, 1975, Streets and Berkowitz, 1976.
12From D00(Te2) + I.P.(Te) - I.P.(Te2).


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.

Shin-Piaw, 1938
Shin-Piaw, C., Spectres de bandes du selenium, du tellure et de leurs oxydes dans l'ultra-violet, Ann. Phys. (Paris), 1938, 10, 173-175. [all data]

Migeotte, 1942
Migeotte, R., Quelques remarques sur l'abondance des isotopes du tellure, Bull. Soc. R. Sci. Liege, 1942, 11, 44-47. [all data]

Rosen, 1927
Rosen, B., Redsonanz-, fluoreszenz- und absorptionsspektra in der sechsten gruppe des periodischen systems, Z. Phys., 1927, 43, 69. [all data]

Hirschlaff, 1932
Hirschlaff, E., Uber die absorptionsbanden von jod und von tellur, Z. Phys., 1932, 75, 315. [all data]

Yee and Barrow, 1972
Yee, K.K.; Barrow, R.F., Observations on the absorption and fluorescence spectra of gaseous Te2, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1397. [all data]

Du Parcq and Barrow, 1966
Du Parcq, R.P.; Barrow, R.F., The internuclear distance in the Te2 molecule, Chem. Commun., 1966, 270. [all data]

Barrow and Du Parcq, 1972
Barrow, R.F.; Du Parcq, R.P., Rotational analysis of the A0u+, B0u+-X0g+ systems of gaseous Te2, Proc. R. Soc. London A, 1972, 327, 279. [all data]

Stone and Barrow, 1975
Stone, T.J.; Barrow, R.F., Laser excited fluorescence spectra of gaseous Te2, Can. J. Phys., 1975, 53, 1976. [all data]

Olsson, 1935
Olsson, E., Das emissionsspektrum des Te2, Z. Phys., 1935, 95, 215. [all data]

Jha and Rao, 1969
Jha, B.L.; Rao, D.R., Emission spectrum of Te2, Chem. Phys. Lett., 1969, 3, 175. [all data]

Jha, Subbaram, et al., 1969
Jha, B.L.; Subbaram, K.V.; Rao, D.R., Electronic spectra of 130Te2 and 128Te2, J. Mol. Spectrosc., 1969, 32, 383. [all data]

Herzberg, 1950
Herzberg, G., Molecular spectra and molecular structure. I. Spectra of diatomic molecules, Pub. D. Van Nostrand Company, Inc., Princeton, New Jersey, 1950, 0. [all data]

Prasad and Rao, 1955
Prasad, N.D.; Rao, P.T., The band spectrum of tellurium in the visible, Indian J. Phys., 1955, 28, 549. [all data]

Kondratjew and Lauris, 1934
Kondratjew, V.; Lauris, A., Induzierte pradissoziation der Te2-molekule, Z. Phys., 1934, 92, 741. [all data]

Olsson, 1937
Olsson, E., La predissociation induite de la molecule de tellure soumise a des champs magnetiques intenses, Compt. Rend., 1937, 204, 1182. [all data]

Rosen, 1945
Rosen, B., Special cases of predissociation, Phys. Rev., 1945, 68, 124. [all data]

Rompe, 1936
Rompe, R., Einige untersuchungen uber die entladung in tellurdampf, Z. Phys., 1936, 101, 214. [all data]

Rao, Rao, et al., 1975
Rao, M.L.P.; Rao, D.V.K.; Rao, P.T., Dissociation energies of XOg+ and AOu+ states of gaseous Te2, Spectrosc. Lett., 1975, 8, 745. [all data]

Budininkas, Edwards, et al., 1968
Budininkas, P.; Edwards, R.K.; Wahlbeck, P.G., Dissociation energies of group VIa gaseous homonuclear diatomic molecules. III. Tellurium, J. Chem. Phys., 1968, 48, 2870. [all data]

Smoes, Mandy, et al., 1972
Smoes, S.; Mandy, F.; Vander Auwera-Mahieu, A.; Drowart, J., Determination by the mass spectrometric Knudsen cell method of the dissociation energies of the group IB chalcogenides, Bull. Soc. Chim. Belg., 1972, 81, 45. [all data]

Berkowitz and Chupka, 1969
Berkowitz, J.; Chupka, W.A., Photoionization of high-temperature vapors. VI. S2, Se2, and Te2, J. Chem. Phys., 1969, 50, 4245. [all data]

Guyon and Berkowitz, 1971
Guyon, P.M.; Berkowitz, J., Interpretation of photoionization threshold behavior, J. Chem. Phys., 1971, 54, 1814. [all data]

Berkowitz, 1975
Berkowitz, J., PES of high temperature vapors. VII. S2 and Te2, J. Chem. Phys., 1975, 62, 4074. [all data]

Streets and Berkowitz, 1976
Streets, D.G.; Berkowitz, J., Photoelectron spectroscopy of Se2 and Te2, J. Electron Spectrosc. Relat. Phenom., 1976, 9, 269. [all data]


Go To: Top, Constants of diatomic molecules, References