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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 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 115In(35)Cl+
B (2Sigma) (26700) 1           
A (2Pi) (5300) 1           
X (2Sigma) 0 1           


1From the photoelectron spectrum (adiabatic potentials) Berkowitz and Dehmer, 1972. 8
2From thermochemical data and spectroscopic evidence about the 1Pi excited state Barrow, 1960; 4.51 eV by flame photometry Bulewicz, Phillips, et al., 1961.
3Adiabatic potential from the photoelectron spectrum Berkowitz and Dehmer, 1972; vertical potential 9.75 eV
4The rotational analysis of v=0 by Froslie and Winans, 1947 is probably not correct [see Barrow, Glaser, et al., 1955, p.967-8]. Predissociation for vgeq1; the diffuseness is stronger for v=2 than for v=1.
5Constants from Wehrli and Miescher, 1933, slightly different constants in Ashrafunnisa, Rao, et al., 1974.
6muel(v=0) = 3.79 D Tiemann, Hoeft, et al., 1972. Quadrupole coupling constants Schenk, Tiemann, et al., 1970.
7From D00(InCl) + I.P.(In) - I.P.(InCl).
8The maximum (vertical potential) of the very broad 2Pi peak is at 10.85 eV, i.e. the 2Pi potential curve in the Franck-Condon region has risen ~0.6 eV above its dissociation limit In+(1S) + Cl(2P).


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

Berkowitz and Dehmer, 1972
Berkowitz, J.; Dehmer, J.L., Photoelectron spectroscopy of high-temperature vapors. II. Chemical bonding in the Group III monohalides, J. Chem. Phys., 1972, 57, 3194. [all data]

Barrow, 1960
Barrow, R.F., Dissociation energies of the gaseous monohalides of boron, aluminium, gallium, indium, and thallium, Trans. Faraday Soc., 1960, 56, 952. [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]

Froslie and Winans, 1947
Froslie, H.M.; Winans, J.G., The absorption spectrum of InCl, Phys. Rev., 1947, 72, 481. [all data]

Barrow, Glaser, et al., 1955
Barrow, R.F.; Glaser, D.V.; Zeeman, P.B., Rotational analysis of bands of the A3«PI»0+, B3«PI»1-X1«SIGMA»+ systems of indium monofluoride, Proc. Phys. Soc. London Sect. A, 1955, 68, 962. [all data]

Wehrli and Miescher, 1933
Wehrli, M.; Miescher, E., Die spektren der indiumhalogenide, Helv. Phys. Acta, 1933, 6, 457. [all data]

Ashrafunnisa, Rao, et al., 1974
Ashrafunnisa; Rao, D.V.K.; Murthy, A.A.N.; Rao, P.T., The band spectrum of InCl, Physica (Amsterdam), 1974, 73, 421. [all data]

Tiemann, Hoeft, et al., 1972
Tiemann, E.; Hoeft, J.; Torring, T., Elektrisches Dipolmoment von InCl, Z. Naturforsch. A, 1972, 27, 869. [all data]

Schenk, Tiemann, et al., 1970
Schenk, B.; Tiemann, E.; Hoeft, J., Hyperfeinstruktur des Rotationsspektrums bei zwei vergleichbaren Quadrupolkopplungskonstanten: InJ, Z. Naturforsch. A, 1970, 25, 1827. [all data]


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