Home Symbol which looks like a small house Up Solid circle with an upward pointer in it


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 115InD
A 1Pi (22600) [178.2] 1  [2.096] 2 3  [42.6E-5]  [2.2.016] A larrow X R 22167.1 Z
Neuhaus, 1958
a 3Pi1 16933 [950.03] Z 4  2.724 5 0.078 6  [8.2E-5]  1.7682 a larrow X VR 16922.40 Z
Neuhaus, 1958
a 3Pi0+ (16270) [967.79] Z   2.722 0.112  [7.9E-5]  1.769 a larrow X V 16273.99 Z
Neuhaus, 1958
X 1Sigma+ 0 1048.24 Z 12.37  2.523 0.051  [5.8E-5]  1.8373  


1DeltaG(3/2) = 62.8, DeltaG(5/2) = 51.1.
2Lambda-type doubling, Deltanuef(v=0)= +0.0012J(J+1). Breaking-off due to predissociation above J'=13(v'=0,1), 10(v'=2), 7(v'=3).
3B1 = 1.098, B2 = 0.981, B3 = 0.751. Dv values have been determined Neuhaus, 1958 but their meaning is limited in view of the strong perturbations affecting this state. Fragments of three "extra" bands with v"=0,1,2.
4DeltaG(3/2) = 857.42.
5The hyperfine structure of J=1 has been investigated both experimentally Neuhaus, 1958, 2, Neuhaus, 1958, Larsson, Neuhaus, et al., 1968 and theoretically Freed, 1966, Veseth, 1976.
6missing note
7From the predissociations in A 1Pi and a 3Pi.
8DeltaG(3/2) = 80.8.
9Lambda-type doubling, Deltanuef(v=0) = +0.0047J(J+1). Breaking off due to predissociation above J'= 9,7,4 in v'= 0,1,2, respectively; the limiting curve intersects the ordinate axis near 22250 cm-1 above X 1Sigma(v=0,J=0). A few additional diffuse lines have been observed as well as fragments of an "extra" band; see 10.
10B1 = 1.915, B2 = 1.363. Dv values are also given Neuhaus, 1958, 2, but these constants are not sufficient to reproduce the levels of this perturbed state. Zeeman effect studies Larsson and Neuhaus, 1964.
11Effective constants determined by Ginter, 1963,160. For a more rigorous treatment of the fine structure of a 3Pi see Veseth and Lofthus, 1974.
12Predissociation in v=0 above J=26 (3Pi-) and 27 (3Pi+), in v=1 above J=17 (3Pi+), The break-off points are in agreement with the limiting curve of dissociation for 3Pi1+ Ginter, 1963.
13Average constants for 3Pi1+ and 3Pi1-; The Lambda-type doubling is irregular, see Veseth and Lofthus, 1974, and may be caused by the unobserved a' 3Sigma+ state. Zeeman effect studies Larsson and Neuhaus, 1964.
14The 3Pi1 and 3Pi0+ components have nearly identical limiting curves of predissociation; the derived dissociation limit at 20125 cm-1 above X 1Sigma, v=0, J=0, appears to correspond to a potential maximum at ~ 3.3 Angstroms Ginter, 1963. Possible correlations of the low-lying states of InH with those of the separated atoms have been discussed by Ginter and Battino, 1965 and more recently, by Veseth and Lofthus, 1974.
15RKR potential curves Ginter and Battino, 1965.
16omegaeye= -6.83
17gammae= -0.0390
18H0= -3.76E-8. |Dv| and |Hv| increase rapidly with v.
19H0= -2.9E-8.
20omegaeye= 0.308
21gammae= +0.00213
22H0= +0.463E-8.
23From the value for InH and the predissociation in A 1Pi.


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.

Neuhaus, 1958
Neuhaus, H., Uber die Indiumdeutrid- und -hydridbanden und deren Hyperfeinstruktur, Z. Phys., 1958, 152, 402-416. [all data]

Neuhaus, 1958, 2
Neuhaus, H., Die hyperfeinstruktur der Indiumhydrid-Banden, Z. Phys., 1958, 150, 4-9. [all data]

Larsson, Neuhaus, et al., 1968
Larsson, T.; Neuhaus, H.; Aslund, N., Precision measurements of the hyperfine splittings in the optical spectrum of indium hydride, Ark. Fys., 1968, 37, 13, 141-149. [all data]

Freed, 1966
Freed, K.F., On the hyperfine structure of InH and the theory of the hyperfine structure of molecules in Hund's case (C), J. Chem. Phys., 1966, 45, 5, 1714-1722. [all data]

Veseth, 1976
Veseth, L., The hyperfine structure of diatomic molecules: Hund's case (c«alpha»), J. Mol. Spectrosc., 1976, 59, 51. [all data]

Larsson and Neuhaus, 1964
Larsson, T.; Neuhaus, H., Magnetic effects in the spectrum of indium hydride and their relevance for the coupling problem, Ark. Fys., 1964, 27, 19, 275-287. [all data]

Ginter, 1963
Ginter, M.L., The band spectrum of the InH molecule: characterization of the a3«PI» state, J. Mol. Spectrosc., 1963, 11, 301-320. [all data]

Veseth and Lofthus, 1974
Veseth, L.; Lofthus, A., Rotational Energies of Hund's case (c) 3«PI» states in diatomic molecules. The a3«PI» state of InH and InD, J. Mol. Spectrosc., 1974, 49, 414-422. [all data]

Ginter and Battino, 1965
Ginter, M.L.; Battino, R., On the calculation of potential curves by the Rydberg-Klein-Rees method. I. Experimental limitations, extrapolation procedures, and applications to the third-group hydrides, J. Chem. Phys., 1965, 42, 3222. [all data]


Go To: Top, Constants of diatomic molecules, References