HT
- Formula: HT
- Molecular weight: 4.02399
- Information on this page:
- Options:
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 November, 1976
| Symbol | Meaning |
|---|---|
| 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) |
| State | Te |  e | exe | eye | Be |  e |  e | De |  e | re | Trans. |  00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
k 3 u 4p | (118384.8) | 1915.05 | 44.67 1 | 0.527 | 20.106 | 0.8638 2 | 0.0123 | 0.0086 | 1.0535 | k  a R | 22303.78 | |
| ↳Cunningham and Dieke, 1950 | ||||||||||||
| d 3u 3p | (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 a R | 16648.10 |
| ↳Dieke and Tomkins, 1949 | ||||||||||||
e 3 u+ 3p | (107772.7) | 1796.42 | 45.69 6 | 0.34 | 18.3167 | 0.819 | -0.0039 | 0.744 | -0.00041 | 1.10379 | e a R | 11631.98 |
| ↳Dieke and Tomkins, 1951 | ||||||||||||
| a 3u+ 2s | (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 |
| State | Te | e | exe | eye | Be | e | e | De | e | re | Trans. | 00 |
| C 1u 2p | (100094.7) 7 | (C-X) | (99301.5) 12 | |||||||||
| B 1u+ 2p | (91698.1) 7 | (B-X) | (90472.2) 12 | |||||||||
| X 1g+ 1s2 | 0 | 3597.05 13 | 81.678 13 | 40.595 | 1.664 14 | (0.74142) | ||||||
Notes
| 1 | missing note |
| 2 | missing note |
| 3 | eze = -0.036. |
| 4 | The rotational constants refer to 3- since 3+ is perturbed;
the  -type doubling is somewhat irregular and fairly large. |
| 5 | missing note |
| 6 | eze = -0.060. |
| 7 | From the Te values of H2 and D2 assuming that the electronic isotope shift is
proportional to (1 -  H2/17HT). |
| 8 | eze = -0.015. |
| 9 | missing note |
| 10 | missing note |
| 11 | From Te assuming Y'00 = 0, but taking account of Y"00 (see 13). |
| 12 | From Te and the zero-point energy calculated by Kolos and Wolniewicz, 1968. |
| 13 | All 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.
eye = + 0.575; Y00 = 5.7. |
| 14 | v= +0.0238(v+1/2)2 + 0.0015(v+1/2)3. See also 13. |
| 15 | D00= 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. |
| 16 | From theoretical D00(HT) and D00(HT+) values and I.P. (H). |
| 17 | missing 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
Go To: Top, Constants of diatomic molecules, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.