Hydroxyl cation
- Formula: HO+
- Molecular weight: 17.0068
- IUPAC Standard InChI: InChI=1S/H2O/h1H2/p+1
- IUPAC Standard InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-O
- CAS Registry Number: 12259-29-9
- 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 May, 1977
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| b 1Σ+ | (29050) | [2981] 1 | [16.320] 1 | (0.732) 1 | [19.2E-4] 1 | 1.032 | (b-X) | 29058.8 1 | ||||
| A 3Πi 0- | A → X 2 3 R | 28034.04 4 | ||||||||||
| ↳missing citation; missing citation | ||||||||||||
| A 3Πi 0+ | A → X 2 3 R | 28028.31 4 | ||||||||||
| ↳missing citation; missing citation | ||||||||||||
| A 3Πi 1 | 28438.55 | 2133.65 Z | 79.55 | 13.7916 5 6 | 0.8889 | .01730 | [22.495E-4] 7 | 1.1354 | A → X 2 3 R | 27948.43 4 | ||
| ↳missing citation; missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| A 3Πi 2 | A → X 2 3 R | 27864.31 4 | ||||||||||
| ↳missing citation; missing citation | ||||||||||||
| a 1Δ | 17660 8 | |||||||||||
| X 2Σ- | 0 | 3113.37 Z | 78.52 | 16.7943 9 | 0.7494 | .01097 | [19.174E-4] 10 | 1.0289 | ||||
Notes
| 1 | Constants derived from the perturbations in A 3Π. The b-X transition is not observed. |
| 2 | Lifetime τ(v=0) = 0.89 μs Brzozowski, Elander, et al., 1974; similar results for v=1,3. |
| 3 | Vibrational intensity distribution (branching ratios), variation of the transition moment with r Gerard, Govers, et al., 1976. |
| 4 | Subband origins as defined by Merer, Malm, et al., 1975. From the data for the OD+ A 3Π(v=0) level Merer, Malm, et al., 1975 estimate the true spin-orbit and spin-spin interaction parameters A = -83.83 cm-1 Merer, Malm, et al., 1975 and 2α = -5.92 cm-1 Merer, Malm, et al., 1975. |
| 5 | Λ-doubling constants p0 = -0.251, q0 = +0.0478; for v=1,2 see Merer, Malm, et al., 1975. |
| 6 | Perturbations by b 1Σ+. |
| 7 | H0 = +10.4E-8; other Dv, Hv values for v ≤ 2 in Merer, Malm, et al., 1975. |
| 8 | From the photoelectron spectrum Katsumata and Lloyd, 1977. |
| 9 | Spin-splitting constants for v=0: λ0 = 2.134 cm-1 and γ0 = -0.1478 cm-1; similar results for v=1 and 2. |
| 10 | H0 = 12.39E-8; values for D1, D2 in Merer, Malm, et al., 1975. |
| 11 | D00(OH) + I.P.(H) - I.P.(OH). |
| 12 | A rather complete list and critical assessment of earlier references is given in Merer, Malm, et al., 1975. |
| 13 | From D00(OH+). |
| 14 | Λ-doubling constants p0 = -0.132, q0 = +0.01222 cm-1; for v=1,2,3 see Merer, Malm, et al., 1975. |
| 15 | Perturbations by b 1Σ+ and a 1Δ. |
| 16 | H0 = +2.02E-8; other Dv, Hv values for v ≤ 3 in Merer, Malm, et al., 1975. |
| 17 | Lifetime τ(v=0) = 1.06 μs Brzozowski, Erman, et al., 1975. |
| 18 | This level at 29434 cm-1 is only observed through perturbations in A 3Π(v=1); D6 = 4.8E-4. The v=5 level produces a weak perturbation in A 3Π(v=0). |
| 19 | Spin splitting constants λ0 = +2.141, γ0 = -0.0790 cm-1; similar constants for v=1,2 Merer, Malm, et al., 1975. |
| 20 | H0 = 2.17E-8; values for D1, D2, D3 in Merer, Malm, et al., 1975. |
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.
Brzozowski, Elander, et al., 1974
Brzozowski, J.; Elander, N.; Erman, P.; Lyyra, M.,
Lifetimes of excited levels in some important ion-molecules part I: NH+, OH+ and SH+,
Phys. Scr., 1974, 10, 241-243. [all data]
Gerard, Govers, et al., 1976
Gerard, M.; Govers, T.R.; van de Runstraat, C.A.; Marx, R.,
Vibrational branching ratios for the A3Πi → X3Σ- system of OH+ and OD+,
Chem. Phys. Lett., 1976, 44, 1, 154-158. [all data]
Merer, Malm, et al., 1975
Merer, A.J.; Malm, D.N.; Martin, R.W.; Horani, M.; Rostas, J.,
The ultraviolet emission spectra of OH+ and OD+. Rotational structure and perturbations in the A3Πi - X3Σ- transition,
Can. J. Phys., 1975, 53, 251-283. [all data]
Katsumata and Lloyd, 1977
Katsumata, S.; Lloyd, D.R.,
The photoelectron spectra of the OH and OD radicals,
Chem. Phys. Lett., 1977, 45, 519. [all data]
Brzozowski, Erman, et al., 1975
Brzozowski, J.; Erman, P.; Lew, H.,
Lifetimes of excited states in D2O+ and OD+ and relative lifetimes between the normal and deuterated species,
Chem. Phys. Lett., 1975, 34, 2, 267-270. [all data]
Notes
Go To: Top, Constants of diatomic molecules, References
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