# DT+

**Formula:**DT^{+}**Molecular weight:**5.0296024756**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 |

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} |
---|---|---|---|---|---|---|---|---|---|---|---|---|

X ^{2}_{g}^{+} 1s | 0 | [(1445.410)] 1 |

### Notes

1 | Theoretical value Bishop, 1976. |

2 | From D_{0}^{0}(D2) and I.P.(D2); theoretical value D_{00}= 2.69192 eV Bishop, 1974. |

3 | Data for these two states are entirely theoretical Kroll, 1970. |

4 | G(3/2) = 1512.1 Takezawa and Tanaka, 1975; from Rydberg series of D_{2} Takezawa and Tanaka, 1975.
Corresponding theoretical values 1577.15, 1512.47 [adiabatic
approximation Hunter, Yau, et al., 1974]. Higher vibrational levels [observed in
photoionization Villarejo, 1968 and photoelectron Spohr and Puttkamer, 1967 spectra] and rotational levels,
including quasi-bound levels, calculated by Hunter and Pritchard, 1967, Hunter, Yau, et al., 1974. Franck-Condon factors for
photoionization of D_{2} from X ^{1}_{g}^{+} calculated by Halmann and Laulicht, 1965, Dunn, 1966 and
measured by Spohr and Puttkamer, 1967, Villarejo, 1968. |

5 | Extrapo1ated Cunningham and Dieke, 1950 from low members of the Rydberg series np^{3}(n=2...6) of D_{2}.
See also 4. |

6 | Calculated from the Born-Oppenheimer potential function and the adiabatic
corrections (scaled down for T_{2}^{+}) given by Bishop and Wetmore, 1973. |

7 | Extrapolated Cunningham and Dieke, 1950 from low members of the Rydberg series np^{3}(n=2.. .5) of T_{2}. |

## 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.
**

**Bishop, 1976**

Bishop, D.M.,
*Accurate calculation of the infrared spectra of HD ^{+}, HT^{+}, and DT^{+}*,

**Phys. Rev. Lett.**, 1976, 37, 8, 484-485. [all data]

**Bishop, 1974**

Bishop, D.M.,
*Non-adiabatic calculations for H _{2}^{+}, HD^{+} and D_{2}^{+}*,

**Mol. Phys.**, 1974, 28, 1397. [all data]

**Kroll, 1970**

Kroll, M.,
*A prediction of the discrete electronic transition 2p«pi» _{u}-3d«sigma»_{g} of H_{2}^{+}*,

**J. Mol. Spectrosc.**, 1970, 35, 436. [all data]

**Takezawa and Tanaka, 1975**

Takezawa, S.; Tanaka, Y.,
*The absorption spectrum of D _{2} in the vacuum-uv region, Rydberg bands, no_{«sigma»}^{1}«SIGMA»_{u}^{+}<--X^{1}«SIGMA»_{g}^{+} and np_{«pi»}^{1}«pi»<--X^{1}«SIGMA»_{g}^{+} with n=4-6, and the ionization energy*,

**J. Mol. Spectrosc.**, 1975, 54, 379. [all data]

**Hunter, Yau, et al., 1974**

Hunter, G.; Yau, A.W.; Pritchard, H.O.,
*Rotation-vibration level energies of the hydrogen and deuterium molecule-ions*,
**At. Data Nucl. Data Tables**, 1974, 14, 11. [all data]

**Villarejo, 1968**

Villarejo, D.,
*Measurement of threshold electrons in the photoionization of H _{2} and D_{2}*,

**J. Chem. Phys.**, 1968, 48, 4014. [all data]

**Spohr and Puttkamer, 1967**

Spohr, R.; Puttkamer, E.v.,
*Energiemessung von Photoelektronen und Franck-Condon-Faktoren der Schwingungsubergange einiger Molekulionen*,
**Z. Naturforsch.**, 1967, 22a, 705. [all data]

**Hunter and Pritchard, 1967**

Hunter, G.; Pritchard, H.O.,
*Born-Oppenheimer separation for three-particle systems. III. Applications*,
**J. Chem. Phys.**, 1967, 46, 2153. [all data]

**Halmann and Laulicht, 1965**

Halmann, M.; Laulicht, I.,
*Isotope effects on vibrational transition probabilities. III. Ionization of isotopic H _{2}, N_{2},,O_{2}, NO, CO, and HCl molecules*,

**J. Chem. Phys.**, 1965, 43, 1503. [all data]

**Dunn, 1966**

Dunn, G.H.,
*Franck-Condon factors for the ionization of H _{2} and D_{2}*,

**J. Chem. Phys.**, 1966, 44, 2592. [all data]

**Cunningham and Dieke, 1950**

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

**Bishop and Wetmore, 1973**

Bishop, D.M.; Wetmore, R.W.,
*Vibrational spacings for H _{2}^{+}, D_{2}^{+} and H_{2}*,

**Mol. Phys.**, 1973, 26, 145. [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.