# DT

**Formula:**DT**Molecular weight:**5.0301510555**Information on this page:****Options:**

## 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

Symbol | Meaning |
---|---|

State | electronic state and / or symmetry symbol |

T_{e} | minimum electronic energy (cm^{-1}) |

ω_{e} | vibrational constant – first term (cm^{-1}) |

ω_{e}x_{e} | vibrational constant – second term (cm^{-1}) |

ω_{e}y_{e} | vibrational constant – third term (cm^{-1}) |

B_{e} | rotational constant in equilibrium position (cm^{-1}) |

α_{e} | rotational constant – first term (cm^{-1}) |

γ_{e} | rotation-vibration interaction constant (cm^{-1}) |

D_{e} | centrifugal distortion constant (cm^{-1}) |

β_{e} | rotational constant – first term, centrifugal force (cm^{-1}) |

r_{e} | internuclear distance (Å) |

Trans. | observed transition(s) corresponding to electronic state |

ν_{00} | position of 0-0 band (units noted in table) |

State | T_{e} | _{e} | _{e}x_{e} | _{e}y_{e} | B_{e} | _{e} | _{e} | D_{e} | _{e} | r_{e} | Trans. | _{00} |
---|---|---|---|---|---|---|---|---|---|---|---|---|

a ^{3}_{g}^{+} 2s | (95961._{8}) 1 | (a-X) | (95404._{6}) 2 | |||||||||

C ^{1}_{u} 2p | (100098._{4}) 1 | (C-X) | (99470._{0}) 2 | |||||||||

B ^{1}_{u}^{+} 2p | (91696.7) 1 | (B-X) | (90724._{9}) 2 | |||||||||

X ^{1}_{g}^{+} 1s^{2} | 0 | 2845.5_{2} 3 | 51.38_{6} 3 | 25.395 3 | 0.8221 3 | 0.00809 4 | (0.74142) | |||||

↳Jones, 1949; Cashion, 1966 |

### Notes

1 | From the T_{e} values of H_{2} and D_{2} assuming that the electronic isotope shift is
proportional to (1-_{H2}/_{DT}) |

2 | From T_{e} and the zero-point energy calculated by Kolos and Wolniewicz, 1968. |

3 | Calculated by Cashion, 1966 from the potential function of Kolos and Wolniewicz, 1965 and based on v=0...3 only.
_{e}y_{e} = +0.336, _{e} = +0.0087. Y_{00} = 3.4. Slightly different numbers were
obtained by Jones, 1949 from the constants of H_{2} by using isotope relations. |

4 | Ca1culated by Jones, 1949 from the constants of H_{2} using isotope relations; _{e} = -
0.000114. |

5 | D_{00}= 36881.1 cm^{-1} Kolos and Wolniewicz, 1968, 2, calculated from ab initio potential function Kolos and Wolniewicz, 1968, 2; non-
adiabatic corrections which are certainly less than + 0.2 cm^{-1} and Lamb shift
corrections (~ 0.2 cm^{-1}) are not included. No observed value is available yet. |

6 | From the theoretical D_{0}^{0} (DT) and D_{0}^{0} (DT+) values and I.P.(D). |

## 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.
**

**Jones, 1949**

Jones, W.M.,
*Thermodynamic functions for tritium deuteride. The dissociation of tritium deuteride. Equilibria among the isotopic hydrogen molecules*,
**J. Chem. Phys.**, 1949, 17, 11, 1062-1064. [all data]

**Cashion, 1966**

Cashion, J.K.,
*Properties of the ^{1}«SIGMA»_{g}^{+} state of H_{2} calculated from an accurate adiabatic potential*,

**J. Chem. Phys.**, 1966, 45, 1037. [all data]

**Kolos and Wolniewicz, 1968**

Kolos, W.; Wolniewicz, L.,
*Vibrational and rotational energies of the B ^{1}«SIGMA»_{u}^{+}, C^{1}«PI»_{u}, C^{1}«PI»_{u}, and a^{3}«SIGMA»_{g}^{+} states of the hydrogen molecule*,

**J. Chem. Phys.**, 1968, 48, 3672. [all data]

**Kolos and Wolniewicz, 1965**

Kolos, W.; Wolniewicz, L.,
*Potential-energy curves for the X ^{1}«SIGMA»_{g}^{+}, b^{3}«SIGMA»_{u}^{+}, and C^{1}«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:
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