Hafnium

Hafnium: orbital properties

Valence shell orbital radii

The following are calculated values of valence shell orbital radii, R_max

Table: valence shell orbital radii for hafnium.

Orbital	Radius [/pm]	Radius [/AU]
s orbital	177.9	3.36158
p orbital	no data	no data
d orbital	87.6	1.65455
f orbital	23.9	0.450863

References

The R_max values for neutral gaseous element valence orbitals are abstracted from reference 1.

1. J.B. Mann, Atomic Structure Calculations II. Hartree-Fock wave functions and radial expectation values: hydrogen to lawrencium, LA-3691, Los Alamos Scientific Laboratory, USA, 1968.

Effective Nuclear Charges

The following are "Clementi-Raimondi" effective nuclear charges, Z_eff. Follow the hyperlinks for more details and for graphs in various formats.

Table: effective nuclear charges for hafnium

1s	70.60
2s	53.19	2p	67.60
3s	50.31	3p	50.98	3d	58.43
4s	38.98	4p	37.93	4d	35.52	4f	32.21
5s	21.83	5p	19.59	5d	16.62
6s	9.16	6p	no data
7s

References

These effective nuclear charges, Z_eff, are adapted from the following references:

1. E. Clementi and D.L.Raimondi, J. Chem. Phys. 1963, 38, 2686.
2. E. Clementi, D.L.Raimondi, and W.P. Reinhardt, J. Chem. Phys. 1967, 47, 1300.

Electron binding energies

This table contains electron binding energies for hafnium.

Label	Orbital	eV [literature reference]
K	1s	65351 [1]
L I	2s	11271 [1]
L II	2p1/2	10739 [1]
L III	2p3/2	9561 [1]
M I	3s	2601 [1]
M II	3p1/2	2365 [1]
M III	3p3/2	2107 [1]
M IV	3d3/2	1716 [1]
M V	3d5/2	1662 [1]
N I	4s	538 [2]
N II	4p1/2	438.2 [3]
N III	4p3/2	380.7 [3]
N IV	4d3/2	220 [3]
N V	4d5/2	211.5 [3]
N VI	4f5/2	15.9 [3]
N VII	4f7/2	14.2 [3]
O I	5s	64.2 [3]
O II	5p1/2	38 [2]
O III	5p3/2	29.9 [3]

Notes

All values of electron binding energies are given in eV. The binding energies are quoted relative to the vacuum level for rare gases and H₂, N₂, O₂, F₂, and Cl₂ molecules; relative to the Fermi level for metals; and relative to the top of the valence band for semiconductors.

I am grateful to Gwyn Williams (Jefferson Laboratory, Virginia, USA) who provided the electron binding energy data. The data are adapted from references 1-3. They are tabulated elsewhere on the WWW (reference 4) and in paper form (reference 5).

References

1. J. A. Bearden and A. F. Burr, "Reevaluation of X-Ray Atomic Energy Levels," Rev. Mod. Phys., 1967, 39, 125.
2. M. Cardona and L. Ley, Eds., Photoemission in Solids I: General Principles (Springer-Verlag, Berlin) with additional corrections, 1978.
3. Gwyn Williams WWW table of values
4. D.R. Lide, (Ed.) in Chemical Rubber Company handbook of chemistry and physics, CRC Press, Boca Raton, Florida, USA, 81st edition, 2000.
5. J. C. Fuggle and N. Mårtensson, "Core-Level Binding Energies in Metals," J. Electron Spectrosc. Relat. Phenom., 1980, 21, 275.

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Hafnium	Hafnium
Hafnium	Hafnium
Afnio	Hafnio
Hafnium	Háfnio