Hydroxyl-d

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Constants of diatomic molecules

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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

Symbols used in the table of constants
SymbolMeaning
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)
Diatomic constants for 16O2H
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
C 2Σ+ (89470) (898) (10)  [2.235] 1     [2.053] C → A 2 3 R 56090.3 Z
Felenbok, 1963; missing citation
C 2Σ+ 4           (C → X) 2 (88568)
missing citation
D 2Σ- (82160) (2074)   [8.2283] 5   [5.179E-4]  [1.07018] D ← X R 81853.22 6 Z
Douglas, 1974
B 2Σ+ 69775 [546.9] Z 7  [2.745] 8 9  [2.50E-4] 10  [1.8529] B → A 11 R 36275.7 Z
Barrow, 1956; Herman, Felenbok, et al., 1961; missing citation; Czarny and Felenbok, 1968; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
A 2Σ+ 32680.85 12 2316.17 Z 50.433 13 -0.2350 9.1936 14 15 16 17 0.3181 18 -0.00119 [5.763E-4] 19  1.0124 A ↔ X 20 21 R 32477.18 6 Z
missing citation; Clyne, Coxon, et al., 1973; Coxon, 1975
X 2Πi 0 22 2720.24 Z 44.055  10.0209 23 17 0.2757 24 .0006 [5.374E-4] 25  0.96975 26  
Dousmanis, Sanders, et al., 1955; Meerts and Dymanus, 1973; Meerts and Dymanus, 1975
ESR sp. 27
Carrington and Lucas, 1970

Notes

1Spin splitting constant γ0 = +0.6.
2Lifetimes of 6.1 and ~2 ns have been reported Smith and Stella, 1975 for the upper state of the C→A bands and for the 1850 group, respectively. See 3 of O1H.
3Only the 0-11 and 0-12 bands have been observed Carlone and Dalby, 1969.
4Strong many-line spectrum 1900-1700 Å, tentative identification.
5Spin splitting constant γ0 = -0.156.
6See note h of O1H.
7ΔG(3/2) = 357.9 Carlone and Dalby, 1969. Using isotope relations Barrow, 1956 derives ωe = 684, ωexe = 55.7, ωeye = -8.3.
8Spin splitting constant γ < 0.05.
9B1 = 2.445, B2 = 1.947 Carlone and Dalby, 1969.
10D1 = 4.48E-4 Carlone and Dalby, 1969, D2 = 18.9E-4; H0 = -12E-7, H1 = -16E-7 Carlone and Dalby, 1969.
11Franck-Condon factors Felenbok, 1963.
12Te has been corrected for the effects of Y00 on the zero-point energy in both upper and lower state and for a small electronic term ovΣ due to interaction with the 2Π state; see Coxon, 1975.
13The constants represent only v=0...3, Coxon, 1975; Vibrational energy levels and ΔG values up to v=13 are listed in Carlone and Dalby, 1969. Preliminary vibrational constants may be found in Barrow, 1956.
14Spin splitting constants Coxon, 1975: γ0 = +0.1201 [good agreement with Douglas, 1974], γ1 = +0.1170, γ2 = +0.1114.
15In low-pressure flames and discharges the intensity of emission lines originating in v' = 0, 1, 2 decreases rapidly above N' = 29, 26, 17, respectively Broida and Kane, 1953, owing to predissociation by 4Σ- (see 15 of O1H); substantially higher N' values in Palmer and Naegeli, 1968 correspond to the first lines of zero intensity. The lifetime of the v' = 0 rotational levels drops sharply above N' ~ 34 Elmergreen and Smith, 1972, Wilcox, Anderson, et al., 1975. A much stronger predissociation occurs for v = 7...12 causing diffuseness in the B→A bands in low pressure discharges Carlone and Dalby, 1969, Czarny, Felenbok, et al., 1971; asymmetric line shapes in the 0-9 band have been studied by Carlone, 1974 and have been found Carlone, 1975 to contain a Q component because of mixing with the 4Π state that causes the predissociation Czarny, Felenbok, et al., 1971.
16μel(v=0) = 2.16 D Scarl and Dalby, 1971, see note q of O1H. A considerably lower value of 1.72 D was derived by Weinstock and Zare, 1973 from Stark shifts in the location of high-field level crossings and appears to be favored by ab initio calculations [for references see Weinstock and Zare, 1973]. Hfs constants from high-field level crossing experiments in Weinstock and Zare, 1973 [eqQ corrected by Woods and Dixon, 1976 and German, 1976].
17RKR potential functions Coxon, 1975.
18The equilibrium constants refer to the true mechanical Bv values derived by Coxon, 1975 from the effective constants (given in the same paper) for v≤3. Term values for v≤3 Clyne, Coxon, et al., 1973.
19+1.65E-8J3(J+1)3 - 6.0E-13J4(J+1)4 Coxon, 1975; good agreement with D0 and H0 of Douglas, 1974. Coxon, 1975 gives Dv, Hv for v≤2.
20Radiative lifetimes τ(v=0,N=1) = 691 ± 9 ns, τ(v=1,N=1) = 712 ± 10 ns, τ(v=2,N=1) = 736 ± 13 ns German, 1975. Elmergreen and Smith, 1972, Becker and Haaks, 1973, Brophy, Silver, et al., 1974, Wilcox, Anderson, et al., 1975 give somewhat longer lifetimes for low rotational levels in v=0; Hanle effect measurements de Zafra, Marshall, et al., 1971, German, Bergeman, et al., 1973 are slightly lower. Oscillator strengths from high-resolution line absorption: f00 = 0.00096 and f10 = 0.00026 for the rotationless molecule Rouse and Engleman, 1973.
21Zeeman effect in the 0-0 band Thakur, Rai, et al., 1968, Nanes and Robinson, 1971, magnetic rotation spectrum Nanes and Robinson, 1971. Absorption and emission in solid Ne Tinti, 1968. Franck-Condon factors Felenbok, 1963, Coxon, 1975. Vibrational intensity distribution, variation of the transition moment with r, rotational dependence of transition probabilities Crosley and Lengel, 1977.
22A0 = -139.230, A1 = -139.440, A2 = -139.644 Coxon, 1975. Ab initio calculation of spin-orbit coupling parameters Coxon and Hammersley, 1975.
23Λ-type doubling parameters p0 = +0.1266, q0 = -0.010934; additional constants for v≤3 Coxon, 1975; ab initio calculation Coxon and Hammersley, 1975.
24Term values for v≤3 Clyne, Coxon, et al., 1973.
25D1 = 5.331E-4, D2 = 5.28E-4; H0 = 1.935E-8, H1 = +2.065E-8, H2 = +2.46E-8; L0 = -5.2E-13 Coxon, 1975. For v=0 good agreement with Douglas, 1974.
26Hf Λ-doubling sp. 30
27Spectrum of 17OD; magnetic hf and electric quadrupole coupling constants.
28From D00(OH) assuming zero electronic isotope shift.
29From I.P.(OH) and the zero-point energies of OH, OD, OH+, OD+. Photoelectron spectroscopy gives 13.01 eV Katsumata and Lloyd, 1977.
30Λ-doubling and hfs coupling constants. Dipole moment μel(v=0)= 1.65312 D, from Stark shifts of hf Λ-doubling transitions Meerts and Dymanus, 1973, 2; see also Scarl and Dalby, 1971.

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.

Felenbok, 1963
Felenbok, P., Contribution a l'etude du spectre moleculaire des radicaux OH et OD, Ann. Astrophys., 1963, 26, 393. [all data]

Douglas, 1974
Douglas, A.E., Absorption of OH in the 1200 Å region, Can. J. Phys., 1974, 52, 318. [all data]

Barrow, 1956
Barrow, R.F., The B2Σ+-A2Σ+ band-systems of OH and OD, Ark. Fys., 1956, 11, 281. [all data]

Herman, Felenbok, et al., 1961
Herman, L.; Felenbok, P.; Herman, R., Spectre d'emission des radicaux OH et OD, J. Phys. Radium, 1961, 22, 83. [all data]

Czarny and Felenbok, 1968
Czarny, J.; Felenbok, P., Etude a tres haute resolution de la transition B2Σ+ → A2Σ+ de OH et OD a l'aide d'une source haute frequence mise au point a cet effet, Ann. Astrophys., 1968, 31, 141. [all data]

Clyne, Coxon, et al., 1973
Clyne, M.A.A.; Coxon, J.A.; Woon Fat, A.R., The A2Σ+-X2Πi electronic band system of the OD free radical. Spectroscopic data for the 0-0 sequence, and rotational term values for A2Σ+ and X2Πi, J. Mol. Spectrosc., 1973, 46, 146. [all data]

Coxon, 1975
Coxon, J.A., The A2Σ+-X2Πi system of OD. Determination of molecular constants by the direct two-state fit approach, J. Mol. Spectrosc., 1975, 58, 1. [all data]

Dousmanis, Sanders, et al., 1955
Dousmanis, G.C.; Sanders, T.M., Jr.; Townes, C.H., Microwave spectra of the free radicals OH and OD, Phys. Rev., 1955, 100, 1735. [all data]

Meerts and Dymanus, 1973
Meerts, W.L.; Dymanus, A., Accurate frequencies below 5 GHz of the lower J states of OD, Astrophys. J., 1973, 180, 93. [all data]

Meerts and Dymanus, 1975
Meerts, W.L.; Dymanus, A., A molecular beam electric resonance study of the hyperfine Λ doubling spectrum of OH, OD, SH, and SD, Can. J. Phys., 1975, 53, 2123. [all data]

Carrington and Lucas, 1970
Carrington, A.; Lucas, J.D., Electron resonance of gaseous diatomic hydrides. I. 17O hyperfine and quadrupole interactions in OH and OD, Proc. R. Soc. London A, 1970, 314, 567. [all data]

Smith and Stella, 1975
Smith, Wm.H.; Stella, G., Lifetimes for OH and OD electronic states with resonance transitions in the region between 1700 and 1950 Å, J. Chem. Phys., 1975, 63, 2395. [all data]

Carlone and Dalby, 1969
Carlone, C.; Dalby, F.W., Spectrum of the hydroxyl radical, Can. J. Phys., 1969, 47, 1945. [all data]

Broida and Kane, 1953
Broida, H.P.; Kane, W.R., Rotational intensity distributions of OH and OD in an electrodeless discharge through water vapor, Phys. Rev., 1953, 89, 1053. [all data]

Palmer and Naegeli, 1968
Palmer, H.B.; Naegeli, D.W., Predissociation of chemiluminescent OH and OD, J. Mol. Spectrosc., 1968, 28, 417-421. [all data]

Elmergreen and Smith, 1972
Elmergreen, B.G.; Smith, W.H., Direct measurement of the lifetimes and predissociation probabilities for rotational levels of the OH and OD A2Σ+ states, Astrophys. J., 1972, 178, 557. [all data]

Wilcox, Anderson, et al., 1975
Wilcox, D.; Anderson, R.; Peacher, J., Rotational and predissociation lifetimes of the A2Σ+ state of OD, J. Opt. Soc. Am., 1975, 65, 1368. [all data]

Czarny, Felenbok, et al., 1971
Czarny, J.; Felenbok, P.; Lefebvre-Brion, H., High vibrational level predissociation in the A2Σ+ state of OD, J. Phys. B:, 1971, 4, 124. [all data]

Carlone, 1974
Carlone, C., Asymmetric line shapes in the B → A system of OD, Phys. Rev. A: Gen. Phys., 1974, 9, 606. [all data]

Carlone, 1975
Carlone, C., Interference effects in the excitation of resonances with fine structure - an application to the predissociation in the B → A system of the deutroxyl radical, Phys. Rev. A: Gen. Phys., 1975, 12, 2464. [all data]

Scarl and Dalby, 1971
Scarl, E.A.; Dalby, F.W., High-field Stark effects on the near ultraviolet spectrum of the hydroxyl radical, Can. J. Phys., 1971, 49, 2825. [all data]

Weinstock and Zare, 1973
Weinstock, E.M.; Zare, R.N., High-field level-crossing and Stark studies of the A2Σ+ state of OD, J. Chem. Phys., 1973, 58, 4319. [all data]

Woods and Dixon, 1976
Woods, R.C.; Dixon, T.A., Comment on the quadrupole coupling constants in the A2Σ+ states of OD and NO, J. Chem. Phys., 1976, 64, 5319. [all data]

German, 1976
German, K.R., High field level crossing measurements of tha A2Σ+ state of OD, J. Chem. Phys., 1976, 64, 4192. [all data]

German, 1975
German, K.R., Direct measurement of the radiative lifetimes of the A2Σ+ (V' = 0) states of OH and OD, J. Chem. Phys., 1975, 62, 2584. [all data]

Becker and Haaks, 1973
Becker, K.H.; Haaks, D., Measurement of the natural lifetimes and quenching rate constants of OH(2Σ+, v = 0,1) and OD(2Σ+, v = 0,1) radicals, Z. Naturforsch. A, 1973, 28, 249. [all data]

Brophy, Silver, et al., 1974
Brophy, J.H.; Silver, J.A.; Kinsey, J.L., Direct measurement of the radiative lifetime of the A2Σ+(v' = 0, K' = 1, J' = 3/2) state of OH and OD, Chem. Phys. Lett., 1974, 28, 418. [all data]

de Zafra, Marshall, et al., 1971
de Zafra, R.L.; Marshall, A.; Metcalf, H., Measurement of lifetime and g factors by level crossing and optical double resonance in the OH and OD free radicals, Phys. Rev. A: Gen. Phys., 1971, 3, 1557. [all data]

German, Bergeman, et al., 1973
German, K.R.; Bergeman, T.H.; Weinstock, E.M.; Zare, R.N., Zero-field level crossing and optical radio-frequency double resonance studies of the A2Σ+ states of OH and OD, J. Chem. Phys., 1973, 58, 4304. [all data]

Rouse and Engleman, 1973
Rouse, P.E.; Engleman, R., Jr., Oscillator strengths from line absorption in a high-temperature furnace. I. The (0,0) and (1,0) bands of the A2Σ+-X2Πi transition in OH and OD, J. Quant. Spectrosc. Radiat. Transfer, 1973, 13, 1503. [all data]

Thakur, Rai, et al., 1968
Thakur, S.N.; Rai, D.K.; Singh, N.L., Zeeman effect in the (0, 0) band of OD, J. Chem. Phys., 1968, 48, 3389. [all data]

Nanes and Robinson, 1971
Nanes, R.; Robinson, D.W., Magnetic rotation spectra of the A2Σ+-X2Πi transition of OH and OD, J. Chem. Phys., 1971, 55, 963. [all data]

Tinti, 1968
Tinti, D.S., Absorption and emission spectra of OH and OD in solid Ne. Evidence for rotation, J. Chem. Phys., 1968, 48, 1459. [all data]

Crosley and Lengel, 1977
Crosley, D.R.; Lengel, R.K., Relative transition probabilities in the A-X system of OD, J. Quant. Spectrosc. Radiat. Transfer, 1977, 17, 59. [all data]

Coxon and Hammersley, 1975
Coxon, J.A.; Hammersley, R.E., Spin-orbit coupling and Λ-type doubling in the ground state of OD, X2Π. Comparison of experimental constants with ab initio calculations, J. Mol. Spectrosc., 1975, 58, 29. [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]

Meerts and Dymanus, 1973, 2
Meerts, W.L.; Dymanus, A., Electric dipole moments of OH and OD by molecular beam electric resonance, Chem. Phys. Lett., 1973, 23, 45. [all data]


Notes

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