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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Gas phase thermochemistry 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°gas,1 bar | 43.685 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1970 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry 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 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, Gas phase thermochemistry 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
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, Gas phase thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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