Deuterium cation
- Formula: D2+
- Molecular weight: 4.0276549757
- CAS Registry Number: 12184-84-8
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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 |
| 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 | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| C 2Πu2pπ | 1 | (188.0) | (3.14) 2 | -0.027 | (0.950) | (0.026) 3 | -0.0003 | (4.198) | (C-B) | (8836) | ||
| ↳Kroll, 1970 | ||||||||||||
| B 2Σg+3dσ | 1 | (309.4) | (2.62) 4 | 0.011 | (0.766) | (0.011) | (4.675) | |||||
| X 2Σg+1sσ | 0 | [1577.3] 5 | 15.016 6 | 0.560 6 | 0.0053 6 | 1.0559 | ||||||
Notes
| 1 | Data for these two states are entirely theoretical Kroll, 1970. |
| 2 | missing note |
| 3 | missing note |
| 4 | missing note |
| 5 | ΔG(3/2) = 1512.1 Takezawa and Tanaka, 1975; from Rydberg series of D2 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 D2 from X 1Σg+ calculated by Halmann and Laulicht, 1965, Dunn, 1966 and measured by Spohr and Puttkamer, 1967, Villarejo, 1968. |
| 6 | Extrapo1ated Cunningham and Dieke, 1950 from low members of the Rydberg series np3Π(n=2...6) of D2. See also 5. |
| 7 | From D00(D2) and I.P.(D2); theoretical value D00= 2.69192 eV Bishop, 1974. |
| 8 | Theoretical value Bishop, 1976. |
| 9 | Calculated from the Born-Oppenheimer potential function and the adiabatic corrections (scaled down for T2+) given by Bishop and Wetmore, 1973. |
| 10 | Extrapolated Cunningham and Dieke, 1950 from low members of the Rydberg series np3Π(n=2.. .5) of T2. |
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.
Kroll, 1970
Kroll, M.,
A prediction of the discrete electronic transition 2pπu-3dσg of H2+,
J. Mol. Spectrosc., 1970, 35, 436. [all data]
Takezawa and Tanaka, 1975
Takezawa, S.; Tanaka, Y.,
The absorption spectrum of D2 in the vacuum-uv region, Rydberg bands, noσ1Σu+←X1Σg+ and npπ1π←X1Σg+ 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 H2 and D2,
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 H2, N2,,O2, 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 H2 and D2,
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, 1974
Bishop, D.M.,
Non-adiabatic calculations for H2+, HD+ and D2+,
Mol. Phys., 1974, 28, 1397. [all data]
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 and Wetmore, 1973
Bishop, D.M.; Wetmore, R.W.,
Vibrational spacings for H2+, D2+ and H2,
Mol. Phys., 1973, 26, 145. [all data]
Notes
Go To: Top, Constants of diatomic molecules, References
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