[2H]hydrogen iodide
- Formula: DI
- Molecular weight: 128.91857
- CAS Registry Number: 14104-45-1
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Gas phase ion energetics data
Go To: Top, Constants of diatomic molecules, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
10.387 | S | Eland and Berkowitz, 1977 |
Constants of diatomic molecules
Go To: Top, Gas phase ion energetics data, 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 September, 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
F 1Δ | [71069.9] | [3.161] | [0.51E-4] | [1.640] | F ← X R | 70255.0 Z | ||||||
↳Ginter, Tilford, et al., 1975 | ||||||||||||
1 | ||||||||||||
↳Ginter, Tilford, et al., 1975 | ||||||||||||
f1 3Δ1 | [70513.3] | [3.089] 2 | [0.45E-4] 2 | [1.659] | f1 ← X R | 69698.4 Z | ||||||
↳missing citation | ||||||||||||
D 1Π | [70065.5] | [3.155] 3 | [0.55E-4] 3 | [1.642] | D ← X R | 69250.6 Z | ||||||
↳missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
d0 3Π0 | [69972.1] | [3.131] 4 | [0.47E-4] 4 | [1.648] | d0 ← X R | 69157.2 4 Z | ||||||
↳missing citation | ||||||||||||
V 1Σ+ | [1.30] 5 | [2.56] 5 | V ← X R | 67893.6 5 Z | ||||||||
↳Ginter, Tilford, et al., 1975 | ||||||||||||
E 1Σ+ | 66163.5 | 1455.9 Z | 75.95 | [3.092] | 6 | [6.0E-5] | [1.658] | E ← X R | 66057.6 Z | |||
↳missing citation | ||||||||||||
f2 3Δ2 | [65533.6] | [3.296] 7 | [1.64E-4] 7 | [1.606] | f2 ← X | 64718.7 Z | ||||||
↳Ginter, Tilford, et al., 1975 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
f3 3Δ3 | [65440.7] | [3.002] 7 | [0.22E-4] 7 | [1.683] | f3 ← X R | 64625.8 Z | ||||||
↳Ginter, Tilford, et al., 1975 | ||||||||||||
e 3Σ+ | [65095] 8 | e ← X | 64280 | |||||||||
↳Ginter, Tilford, et al., 1975 | ||||||||||||
d1 3Π1 | (63958) | [(1586)] 9 | [3.135] 7 | [0.39E-4] 7 | [1.647] | d1 ← X R | 63936.2 Z | |||||
↳Ginter, Tilford, et al., 1975 | ||||||||||||
d2 3Π2 | [64681.5] | [3.111] | [0.39E-4] | [1.653] | d2 ← X R | 63866.6 Z | ||||||
↳Ginter, Tilford, et al., 1975 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
C 1Π | 62321 | 1664 | 30 10 | C ← X | 62331 HQ | |||||||
↳Tilford, Ginter, et al., 1970 | ||||||||||||
b0 3Π0+ | [61667.4] | [3.255] | [1.616] | b0 ← X 11 | 60852.5 Z | |||||||
↳missing citation | ||||||||||||
b0 3Πo- | [61647] | [3.255] | [1.616] | b0 ← X 11 | 60832 H | |||||||
↳missing citation | ||||||||||||
b1 3Π1 | [57547.6] | [3.245] 12 | [1.619] ] | b1 ← X | 56732.8 Z | |||||||
↳missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
b2 3Π2 | (55862) | [1585.2] Z | 3.2651 | 0.0632 | 1.6137 | b2 ← X | 55840.1 Z | |||||
↳missing citation | ||||||||||||
A (1Π) | 13 | A ← X 14 | ||||||||||
↳Ogilvie, 1971 | ||||||||||||
a (3Π) | 13 | a ← X 14 | ||||||||||
↳Ogilvie, 1971 | ||||||||||||
X 1Σ+ | 0 | 1639.655 Z | 19.873 15 | -0.0459 | [3.2534872] 16 | 0.06082 15 | -0.000176 | [0.5264E-4] 16 | 1.60909 17 | |||
↳Jones, 1957; Hurlock, Alexander, et al., 1971 | ||||||||||||
18 | ||||||||||||
↳Palik, 1955; Burrus, 1958; Cowan and Gordy, 1958; De Lucia, Helminger, et al., 1971 |
Notes
1 | Further unclassified absorption bands between 68100 and 69800 cm-1. |
2 | Average B and D, B(1+) - B(1-) = +0.064. |
3 | Average B and D, B(1+) - B(1-) = -0.014. |
4 | The constants refer to the 0+ component; the numbering of the Q branch (0- component, v00 ~ 69147.0) is uncertain. |
5 | Vibrational numbering uncertain; the numbers given refer to the lowest level observed in absorption for which v is probably fairly high. Several higher vibrational levels have been found; strong perturbations. |
6 | B1 = 2.974 (perturbed at intermediate J), B2 = 2.802. |
7 | Constants refer to the Ω+ component. |
8 | Very diffuse feature. |
9 | The 1-0 band is quite diffuse and its assignment uncertain. |
10 | Diffuse Q heads only. |
11 | Diffuse, unresolved Q branch. |
12 | missing note |
13 | Continuous absorption starting at 33000 with maximum at 45000 cm-1. |
14 | At 37550 cm-1 26% of the absorption is due to 3Π0+; see 22 of HI. |
15 | From the IR spectrum Hurlock, Alexander, et al., 1971. |
16 | Microwave value De Lucia, Helminger, et al., 1971. |
17 | Rot.-vib. sp. |
18 | Rotation sp. 21 |
19 | From D00(HI). |
20 | Broad P and R lines, diffuse and unresolved Q branch. |
21 | μel(v=0)= 0.316 D Burrus, 1958. Iodine hfs constants in De Lucia, Helminger, et al., 1971. |
22 | missing note |
References
Go To: Top, Gas phase ion energetics data, 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.
Eland and Berkowitz, 1977
Eland, J.H.D.; Berkowitz, J.,
Photoionization mass spectrometry of HI and DI at high resolution,
J. Chem. Phys., 1977, 67, 5034. [all data]
Ginter, Tilford, et al., 1975
Ginter, M.L.; Tilford, S.G.; Bass, A.M.,
Electronic spectra and structure of the hydrogen halides. States associated with the (σ2π3)cσ and (σ2π3)cπ configurations of HI and DI,
J. Mol. Spectrosc., 1975, 57, 271. [all data]
Tilford, Ginter, et al., 1970
Tilford, S.G.; Ginter, M.L.; Bass, A.M.,
Electronic spectra and structure of the hydrogen halides. The b3Πi and C1Π states of HI and DI,
J. Mol. Spectrosc., 1970, 34, 327. [all data]
Ogilvie, 1971
Ogilvie, J.F.,
Semi-experimental determination of a repulsive potential curve for hydrogen iodide,
Trans. Faraday Soc., 1971, 67, 2205. [all data]
Jones, 1957
Jones, L.H.,
Vibration-rotation spectrum of deuterium iodide,
J. Mol. Spectrosc., 1957, 1, 179. [all data]
Hurlock, Alexander, et al., 1971
Hurlock, S.C.; Alexander, R.M.; Rao, K.N.; Dreska, N.,
Infrared bands of HI and DI,
J. Mol. Spectrosc., 1971, 37, 373. [all data]
Palik, 1955
Palik, E.D.,
The pure rotational spectra of DBr, HI, and DI in the spectral region between 45 and 170 microns,
J. Chem. Phys., 1955, 23, 217. [all data]
Burrus, 1958
Burrus, C.A.,
Stark effect from 1.1 to 2.6 milimeters wavelength: PH3, PD3, DI, and CO,
J. Chem. Phys., 1958, 28, 427. [all data]
Cowan and Gordy, 1958
Cowan, M.; Gordy, W.,
Precision measurements of millimeter and submillimeter wave spectra: DCl, DBr, and DI,
Phys. Rev., 1958, 111, 209. [all data]
De Lucia, Helminger, et al., 1971
De Lucia, F.C.; Helminger, P.; Gordy, W.,
Submillimeter-wave spectra and equilibrium structures of the hydrogen halides,
Phys. Rev. A: Gen. Phys., 1971, 3, 1849. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References
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