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Hafnium monoxide


Gas phase ion energetics data

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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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
7.6 ± 0.1EIRauh and Ackermann, 1974LLK

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 January, 1975

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 180Hf16O
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
J     [0.3719] 1 2     [1.7567] J rarrow x3 1 R 22655.82 Z
missing citation; Weltner and McLeod, 1965; Edvinsson and Nylen, 1971
H     [0.3699] 1 2     [1.7614] H rarrow x2 1 R 21239.87 Z
missing citation; Edvinsson and Nylen, 1971
C x1 + 19719.3 852.5 HQ 4.1  [0.3696] 1   [3.0E-7]  [1.7621] C rarrow x1 1 R 19682.94 Z
missing citation; Edvinsson and Nylen, 1971
x3  (945) 3 (5)  [0.3788] 1   [2.6E-07]  [1.7406]  
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
x2     [0.3781] 1   [2.6E-7]  [1.7422]  
x1 x1 925.0 HQ 3.5  [0.3776] 1   [2.8E-7]  [1.7433]  
G 1Sigma(+) 30090.0 [852.29] Z (3.71)  0.370106 0.002071  [2.764E-7] 4  1.760904 G lrarrow X 5 R 30032.71 Z
missing citation; Weltner and McLeod, 1965; Edvinsson and Nylen, 1971
F 1Sigma(+) 27413.59 849.40 Z 3.67  0.36563 0.00188  2.702E-7 2.3E-09 1.77165 F lrarrow X 5 R 27351.14 Z
missing citation; Weltner and McLeod, 1965; missing citation
E 1Pi 25230.94 866.93 Z 6 3.68  0.36928 7 8 0.00198  2.69E-7  1.7636 E lrarrow X 5 R 25177.25 6 Z
missing citation; Weltner and McLeod, 1965; Edvinsson and Nylen, 1971; Wentink and Spindler, 1972
     0.36868 9 8 0.00197  2.67E-7   E lrarrow X 5 R 25177.25 6 Z
missing citation; Weltner and McLeod, 1965; Edvinsson and Nylen, 1971; Wentink and Spindler, 1972
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
D 1Pi 23554.41 872.60 Z 6 3.31  0.36912 9 8 0.00182  2.624E-7 3.2E-09 1.7642 D lrarrow X 5 R 23503.65 6 Z
missing citation; Weltner and McLeod, 1965; missing citation; Wentink and Spindler, 1972
     0.36837 7 8 0.001800  2.631E-7 1.9E-09  D lrarrow X 5 R 23503.65 6 Z
missing citation; Weltner and McLeod, 1965; missing citation; Wentink and Spindler, 1972
B 1Pi 10 17562.22 907.01 Z 6 3.38  0.378060 9 0.001852  2.63E-7  1.7429 B lrarrow X 5 R 17528.65 6 Z
missing citation; Weltner and McLeod, 1965; Edvinsson, 1966; Edvinsson and Nylen, 1971; Wentink and Spindler, 1972
     0.377537 7 0.001848  2.618E-7 9E-10  B lrarrow X 5 R 17528.65 6 Z
missing citation; Weltner and McLeod, 1965; Edvinsson, 1966; Edvinsson and Nylen, 1971; Wentink and Spindler, 1972
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 1Sigma(+) 10 16616.92 914.24 Z 3.38  0.377985 0.001827  2.587E-7 1.6E-09 1.742454 A lrarrow X 5 R 16586.96 Z
missing citation; Weltner and McLeod, 1965; Edvinsson and Nylen, 1971; Wentink and Spindler, 1972
X 1Sigma(+) 0 974.09 Z 3.228  0.386537 0.001724  2.438E-7 6E-10 1.723071 11 

Notes

1P, Q, and R branches. No Lambda-type doubling observed. The three systems are probably subsystems of a triplet - triplet transition, possibly 3Phi-3Delta (see Edvinsson, 1971).
2v=0 perturbed by state of smaller B value.
3From the fluorescence spectrum of HfO in a Ne matrix Weltner and McLeod, 1965.
4D1 = 3.73E-7, perturbed.
5Absorption spectra of HfO in solid inert gas matrices; see Weltner and McLeod, 1965.
6These band origins do not conform to the usual convention adopted in these tables. Subtract B'v in order to obtain zero lines.
7f levels.
8Perturbations between D and E.
9e levels.
10Possibly 3Pi0+ and 3Pi1; see Edvinsson, 1971.
11IR spectrum of HfO trapped in Ne matrix Weltner and McLeod, 1965.
12Thermochemical value (mass-spectrom. Ackermann and Rauh, 1974). See also Panish and Reif, 1963.
13Electron impact appearance potential Rauh and Ackermann, 1974.

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.

Rauh and Ackermann, 1974
Rauh, E.G.; Ackermann, R.J., First ionization potentials of some refractory oxide vapors, J. Chem. Phys., 1974, 60, 1396. [all data]

Weltner and McLeod, 1965
Weltner, W., Jr.; McLeod, D., Jr., Spectroscopy of titanium, zirconium, and hafnium oxides in neon and argon matrices at 4 and 20°K, J. Phys. Chem., 1965, 69, 3488. [all data]

Edvinsson and Nylen, 1971
Edvinsson, G.; Nylen, Ch., On the band spectrum of HfO, Phys. Scr., 1971, 3, 261. [all data]

Wentink and Spindler, 1972
Wentink, T., Jr.; Spindler, R.J., Jr., The isoelectronic series ScF through ThO-I notes on the band spectra of TiO, HfO and ThO, J. Quant. Spectrosc. Radiat. Transfer, 1972, 12, 1569. [all data]

Edvinsson, 1966
Edvinsson, G., On the bandspectrum of hafnium oxide, Die Naturwissenschaften, 1966, 53, 177. [all data]

Edvinsson, 1971
Edvinsson, Dissertation. USIP Report 71-09, Stockholm, 1971, 1. [all data]

Ackermann and Rauh, 1974
Ackermann, R.J.; Rauh, E.G., Thermodynamic properties of ZrO (g) and HfO (g); a critical examination of isomolecular oxygen-exchange reactions, J. Chem. Phys., 1974, 60, 2266. [all data]

Panish and Reif, 1963
Panish, M.B.; Reif, L., Thermodynamics of the vaporization of Hf and HfO2: dissociation energy of HfO, J. Chem. Phys., 1963, 38, 253. [all data]


Notes

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