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 February, 1976

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 75AsD
A 3Pi0 1 [933.6] Z   [3.3467] 2 3 0.264  [0.000167]  [1.6095] 4 A larrow X R 30628.87 Z
missing citation; Veseth, 1972
A 3Pi1  [934.8] Z   [3.3220] 5 3 0.240  [0.000161]   A larrow X R 29932.48 Z
missing citation; Veseth, 1972
A 3Pi2  [954.2] Z   [3.2881] 3 0.227  [0.000145]   A larrow X R 29389.55 Z
missing citation; Veseth, 1972
X 3Sigma- 0 6 (1484)   [3.6688] 6   [8.97E-05] 7  [1.5306]  
Lindgren, 1975


1A0 = -616.9, small J-dependence Veseth, 1972; A1 = -599.8.
2Lambda-type doubling, Deltanuef(v=0) = +43.39 + 0.00472J(J+1).
3Lines are sharp for the 3Pi0+ state only. Line width increases in the order 3Pi0+ < 3Pi0- < 3Pi1 < 3Pi2, and also with increasing vibrational energy. The predissociation is due to interaction with the unstable 5Sigma- state arising from As(4S) + H(2S) Dixon and Lamberton, 1968.
4From the "true" B0 values in Veseth, 1972.
5Lambda-type doubling, Deltanuef(v=0) = +0.0046J(J+1).
6Spin splitting constants lambda0 = +58.811, gamma0 = -0.l475.
7H0 = +5E-9.
8From the predissociation in A 3Pi.
9A0 = -615.4. Small J-dependence Veseth, 1972.
10DeltaG(1/2) and alpha for the 3Pi0+ component only.
11Lambda-type doubling,Deltanuef(v=0) = +44.72 + 0.0056J(J+1).
12Lambda-type doubling,Deltanuef(v=0) = +0.0214J(J+1).
13Spin splitting constants lambda0 = +58.87, gamma0 = -0.281.
14From a short extrapolation Dixon and Lamberton, 1968 of the 3Pi state to the limit As(2D) + H(2S).


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.

Veseth, 1972
Veseth, I., Fine structure of 3«PI» and 3«SIGMA»- states in diatomic molecules, J. Phys. B:, 1972, 5, 229. [all data]

Lindgren, 1975
Lindgren, B., On the spin-orbit coupling in the ground states of AsH and AsD, Phys. Scr., 1975, 12, 164. [all data]

Dixon and Lamberton, 1968
Dixon, R.N.; Lamberton, H.M., The A, 3«PI»i-X, 3«SIGMA»- band systems of AsH and AsD, J. Mol. Spectrosc., 1968, 25, 12. [all data]


Go To: Top, Constants of diatomic molecules, References