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 March, 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 14ND+
B 2Deltai (23300) 1 (1672)   [7.2715]   [5.5E-4] 2  [1.1474] B rarrow X R 23063.83 3
Colin and Douglas, 1968
A 2Sigma- (22200) [1182.40] Z (32) 4  6.1206 5 0.2752  [5.8E-4] 6  1.2507 A rarrow X R 21750.59 3
Colin and Douglas, 1968
X 2Pir 0 7 [2143.04] Z   [8.244] 8  [5.3E-4]  [1.0776]  


1A0 = -3.5.
2H0 = +1.5E-8.
3Energy of lowest rotational level relative to the lowest level [F1e(1/2)] of the ground state.
4Estimated from the DeltaG(1/2) values for NH+ and ND+.
5Spin-splitting constants gamma0 = -0.052, gamma1 = -0.053.
6D1 = 5.5E-4.
7A0 = +78.4.
8v=1 strongly perturbed by v=1 of a 4Sigma-.
9Theoretical value Liu and Verhaegen, 1970, corresponding to N(4S) + H+. The 2Pi ground state must dissociate into N+(3P) + H(2S).
10Spin-splitting constants gamma0 = +0.105,gamma1= +0.108, gamma2= +0.111.
11H0 ~ +11E-8.
12A0 = -3.6.
13Spin-splitting constants gamma0 = -0.097, gamma1 = -0.100.
14D1 = 18.6E-4, H0 = +18.5E-8.
15From the analysis of perturbations in X 2Pi(v=0,1) Colin and Douglas, 1968.
16A0 = +77.8.
17v=0,1 strongly perturbed by v=0,l, respectively, of a 4Sigma- Colin and Douglas, 1968, Krishnamurthy and Saraswathy, 1976.
18Lambda-doubling in 2Pi1/2(v=0,J=1/2); Deltanufe = +0.451 ± 0.010 cm-1.
19Lifetimes Brzozowski, Elander, et al., 1974: tau(A)= 1.09 mus, tau(B)= 0.98 mus, tau(C)= 0.40 mus.


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.

Colin and Douglas, 1968
Colin, R.; Douglas, A.E., New emission band systems of the NH+ molecule, Can. J. Phys., 1968, 46, 61-73. [all data]

Liu and Verhaegen, 1970
Liu, H.P.D.; Verhaegen, G., Electronic states of CH and NH+, J. Chem. Phys., 1970, 53, 735. [all data]

Krishnamurthy and Saraswathy, 1976
Krishnamurthy, G.; Saraswathy, M., The emission band system c2«SIGMA»+ - x2«PI» of NH+, Pramana, 1976, 6, 4, 235-243. [all data]

Brzozowski, Elander, et al., 1974
Brzozowski, J.; Elander, N.; Erman, P.; Lyyra, M., Lifetimes of excited levels in some important ion-molecules part I: NH+, OH+ and SH+, Phys. Scr., 1974, 10, 241-243. [all data]


Go To: Top, Constants of diatomic molecules, References