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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 May, 1975

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 195Pt12C
B 1Sigma(+) (32779) [843.8] H 1 2  0.468 2 0.006  7E-7  1.785 B larrow X R 32676.8 H
missing citation; Scullman, 1971; Appelblad, Nilsson, et al., 1973
A 1Pi 18627.01 818.74 Z 5.44  0.48023 3 0.00411  6.7E-7  1.76219 A larrow X R 18510.67 Z
Neuhaus, Scullman, et al., 1965; missing citation; Appelblad, Nilsson, et al., 1973
A' 1Pi 13262.8 [906.93] Z 5.6 H  0.50584 4 0.00390  6.20E-7 5  1.71700 A' lrarrow X R 13196.14 Z
Appelblad, Barrow, et al., 1967; Scullman, 1971; Appelblad, Nilsson, et al., 1973
A" 1Sigma(+) 12697.16 943.40 Z 5.28  0.50957 0.003705  6.04E-7 6 .06E-7 1.71071 A" lrarrow X R 12643.19 Z
Scullman, 1971; missing citation
X 1Sigma(+) 0 1051.13 Z 4.86  0.53044 0.003273  5.46E-7 7 .03E-7 1.67672  


1DeltaG(3/2) ~ 808.9.
2B 1Sigma is strongly perturbed.
3Lambda-type doubling Deltanuef(v=0) = +0.64E-4J(J+1).
4Lambda-type doubling Deltanuef(v=0) = +2.18E-4J(J+1).
5H0 = +7.0E-13.
6H0 = +5.4E-13, H1 = +6.6E-13.
7H0(E-13 cm-1)= +8.6, H1(E-13 cm-1)= +9.9, H2(E-13 cm-1)= +8.
8Thermochemical value (mass-spectrometry) Auwera-Mahieu and Drowart, 1967, Gingerich, 1973.


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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Scullman, 1971
Scullman, Dissertation, see USIP Report 71-02, Stockholm, 1971, 1. [all data]

Appelblad, Nilsson, et al., 1973
Appelblad, O.; Nilsson, C.; Scullman, R., Vibrational and rotational analysis of some band systems of the molecule PtC, Phys. Scr., 1973, 7, 65. [all data]

Neuhaus, Scullman, et al., 1965
Neuhaus, H.; Scullman, R.; Yttermo, B., Das Bandenspektrum des PtC, Z. Naturforsch. A, 1965, 20, 162. [all data]

Appelblad, Barrow, et al., 1967
Appelblad, O.; Barrow, R.F.; Scullman, R., A new electronic transition in gaseous PtC, Proc. Phys. Soc. London, 1967, 91, 260. [all data]

Auwera-Mahieu and Drowart, 1967
Auwera-Mahieu, A.V.; Drowart, J., The dissociation energies of the molecules PtC and RhC, Chem. Phys. Lett., 1967, 1, 311-313. [all data]

Gingerich, 1973
Gingerich, K.A., Mass spectrometric evidence for the very high stability of gaseous ThIr and ThPt and method of calculating dissociation energies of diatomic intermetallic compounds with multiple bonds, Chem. Phys. Lett., 1973, 23, 270. [all data]


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