[2H]hydrogen iodide
- Formula: DI
- Molecular weight: 128.91857
- CAS Registry Number: 14104-45-1
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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 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, 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.
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, 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.