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HT


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 November, 1976

Symbols used in the table of constants
SymbolMeaning
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 HT
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
k 3Piu 4ppi (118384.8) 1915.05 44.67 1 0.527 20.106 0.8638 2 0.0123 0.0086  1.0535 k rarrow a R 22303.78
Cunningham and Dieke, 1950
d 3Piu 3ppi (112717.9) 1936.93 43.439 3 0.459 20.219 4 0.823 4 0.008 0.00812 5 -0.00008 1.0506 d rarrow a R 16648.10
Dieke and Tomkins, 1949
e 3Sigmau+ 3psigma (107772.7) 1796.42 45.69 6 0.34 18.3167 0.819 -0.0039 0.744 -0.00041 1.10379 e rarrow a R 11631.98
Dieke and Tomkins, 1951
a 3Sigmau+ 2ssigma (95950.8) 7 2177.01 47.84 8 0.502 22.819 0.9182 9 0.0123 0.97 10 -0.00038 0.98892 (a-X) (95243.5) 11
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
C 1Piu 2ppi (100094.7) 7          (C-X) (99301.5) 12
B 1Sigmau+ 2psigma (91698.1) 7          (B-X) (90472.2) 12
X 1Sigmag+ 1ssigma2 0 3597.05 13 81.678 13  40.595 1.664 14    (0.74142)  

Notes

1missing note
2missing note
3omegaeze = -0.036.
4The rotational constants refer to 3Pi- since 3Pi+ is perturbed; the Lambda-type doubling is somewhat irregular and fairly large.
5missing note
6omegaeze = -0.060.
7From the Te values of H2 and D2 assuming that the electronic isotope shift is proportional to (1 - muH2/17HT).
8omegaeze = -0.015.
9missing note
10missing note
11From Te assuming Y'00 = 0, but taking account of Y"00 (see 13).
12From Te and the zero-point energy calculated by Kolos and Wolniewicz, 1968.
13All constants calculated by Cashion, 1966 from the potential function of Kolos and Wolniewicz, 1965 and based on v=0,1,2,3 only. Experimental values are not available. omegaeye = + 0.575; Y00 = 5.7.
14alphav= +0.0238(v+1/2)2 + 0.0015(v+1/2)3. See also 13.
15D00= 36511.9 cm-1 Kolos and Wolniewicz, 1968, 2, from ab initio potential function Kolos and Wolniewicz, 1968, 2; nonadiabatic corrections which are certainly less than +0.35 cm-1 and Lamb shift corrections (~ 0.2 cm-1) are not included. No observed value is available yet.
16From theoretical D00(HT) and D00(HT+) values and I.P. (H).
17missing note

References

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.

Cunningham and Dieke, 1950
Cunningham; Dieke, Johns Hopkins University, Department of Physics, Rpt. NYO-692, 1950, 1. [all data]

Dieke and Tomkins, 1949
Dieke, G.H.; Tomkins, F.S., The molecular spectrum of hydrogen. The Fulcher bands of TH and T2, Phys. Rev., 1949, 76, 283. [all data]

Dieke and Tomkins, 1951
Dieke, G.H.; Tomkins, F.S., The 3p3«SIGMA»-->2s3«SIGMA»-bands of TH and T2, Phys. Rev., 1951, 82, 796. [all data]

Kolos and Wolniewicz, 1968
Kolos, W.; Wolniewicz, L., Vibrational and rotational energies of the B1«SIGMA»u+, C1«PI»u, C1«PI»u, and a3«SIGMA»g+ states of the hydrogen molecule, J. Chem. Phys., 1968, 48, 3672. [all data]

Cashion, 1966
Cashion, J.K., Properties of the 1«SIGMA»g+ state of H2 calculated from an accurate adiabatic potential, J. Chem. Phys., 1966, 45, 1037. [all data]

Kolos and Wolniewicz, 1965
Kolos, W.; Wolniewicz, L., Potential-energy curves for the X1«SIGMA»g+, b3«SIGMA»u+, and C1«PI»u states of the hydrogen molecule, J. Chem. Phys., 1965, 43, 2429. [all data]

Kolos and Wolniewicz, 1968, 2
Kolos, W.; Wolniewicz, L., Improved theoretical ground-state energy of the hydrogen molecule, J. Chem. Phys., 1968, 49, 404. [all data]


Notes

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