CD
- Formula: CD
- Molecular weight: 14.0248
- IUPAC Standard InChI: InChI=1S/CH/h1H/i1D
- IUPAC Standard InChIKey: VRLIPUYDFBXWCH-MICDWDOJSA-N
- CAS Registry Number: 13776-70-0
- Chemical structure:
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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 August, 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| G 1 | G ← X | 72955 | ||||||||||
| ↳missing citation | ||||||||||||
| F 2Σ+ | [65605] | [6.86] 2 | [1.194] | F ← X R | 64563.9 3 Z | |||||||
| ↳missing citation | ||||||||||||
| D 2Πi | 59038 4 | (2025) | [7.425] | [0.00040] | [1.1474] | D ← B V | 33212.0 3 Z | |||||
| ↳missing citation | ||||||||||||
| C 2Σ+ | [31818.1] 5 | 2081.3 Z | 66.79 6 | 5.364 | 7.879 5 7 | 0.283 8 | [0.00045] 9 | [1.1138] | C ↔ X 7 10 VR | 31801.3 3 Z | ||
| ↳Gero, 1941; Herzberg and Johns, 1969 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| B 2Σ- | 26043 | 1652.5 11 Z | 123.8 | 7.104 7 | 0.341 | -0.095 | [0.000636] 12 | 1.1730 | B ↔ X 7 10 R | 25796.9 3 Z | ||
| ↳Shidel, 1936; Gero, 1941; Herzberg and Johns, 1969 | ||||||||||||
| A 2Δ | 23184.4 | 2203.3 Z | 78.50 | 8.032 8 9 | 0.260 | [0.00045] 13 | 1.1032 | A ↔ X 10 V | 23225.1 3 Z | |||
| ↳Gero, 1941 | ||||||||||||
| X 2Πr | 0 14 | 2099.75 Z | 34.02 | 7.806 15 | 0.208 | [0.00042] 16 | [1.1190] | |||||
Notes
| 1 | 3d complex consisting of 2Σ, 2Π, 2Δ. |
| 2 | Heterogeneous predissociation. |
| 3 | The band origins refer to the zero points of the Hill-Van Vleck formulae for the ground and excited (Λ ≠ 0) states. See also missing citation. |
| 4 | A= -27.7. |
| 5 | Spin-splitting constant γ0= +0.06 Herzberg and Johns, 1969. |
| 6 | ωeze = -1.15; these two constants are derived under the assumption that ΔG of X 2Π is linear in v+1/2. |
| 7 | Lifetime and predissociation see Hesser and Lutz, 1968, Herzberg and Johns, 1969, Hesser and Lutz, 1970. For B 2Σ-, v=0, breaking off occurs above N'=24, for v=1 above N'=16. For C 2Σ+ the predissociation is much weaker for CD than for CH; see note n of CH. |
| 8 | αv= +0.0075(v+1/2)2 - 0.005(v+1/2)3. |
| 9 | D1(E-4 cm-1)= 4.9, D2(E-4 cm-1)= 5.2, D3(E-4 cm-1)= 6.3, D4(E-4 cm-1)= 9. |
| 10 | Franck-Condon factors Halmann and Laulicht, 1966, Liszt and Smith, 1972. |
| 11 | The B state is too shallow for these constants to have much physical meaning. |
| 12 | D1 = 7.2E-4, D2 = 13.9E-4. |
| 13 | D1 = 4.7E-4. |
| 14 | A = +27.95. |
| 15 | Λ-type doubling, Δν ~ 0.009N(N+1) for higher N values. The splitting for J= 1/2 is predicted Hammersley and Richards, 1974 to be 1241 MHz. |
| 16 | missing note |
| 17 | From the predissociation in B 2Σ- of CD. The revised value of D00(CH) would imply D00C(CD) = 3.512 eV. |
| 18 | From I.P. (CH). |
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.
Gero, 1941
Gero, L.,
Das bandenspektrum des CD-molekuls,
Z. Phys., 1941, 117, 709. [all data]
Herzberg and Johns, 1969
Herzberg, G.; Johns, J.W.C.,
New spectra of the CH molecule,
Astrophys. J., 1969, 158, 399. [all data]
Shidel, 1936
Shidel, T.,
4. The band spectra of carbon deuteride,
Jpn. J. Phys., 1936, 11, 23. [all data]
Hesser and Lutz, 1968
Hesser, J.E.; Lutz, B.L.,
Direct measurements of predissociation probabilities in CH and CD molecules,
Phys. Rev. Lett., 1968, 20, 363. [all data]
Hesser and Lutz, 1970
Hesser, J.E.; Lutz, B.L.,
Probabilities for radiation and predissociation. II. The excited states of CH, CD, and CH+, and some astrophysical implications,
Astrophys. J., 1970, 159, 703. [all data]
Halmann and Laulicht, 1966
Halmann, M.; Laulicht, I.,
Isotope effects on vibrational transition probabilities. IV. Electronic transitions of isotopic C2, CO, CN, H2, and CH molecules,
Astrophys. J. Suppl. Ser., 1966, 12, 307. [all data]
Liszt and Smith, 1972
Liszt, H.S.; Smith, W.H.,
RKR Franck-Condon factors for blue and ultraviolet transitions of some molecules of astrophysical interest and some comments on the interstellar abundance of CH, CH+, and SiH,
J. Quant. Spectrosc. Radiat. Transfer, 1972, 12, 947. [all data]
Hammersley and Richards, 1974
Hammersley, R.E.; Richards, W.G.,
Λ-type doubling in the CD molecule,
Astrophys. J., 1974, 194, 61. [all data]
Notes
Go To: Top, Constants of diatomic molecules, References
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