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Titanium: orbital properties
Valence shell orbital radii
The following are calculated values of valence shell orbital radii, Rmax
Table: valence shell orbital radii for titanium.
Orbital |
Radius [/pm] |
Radius [/AU] |
s orbital |
162.2 |
3.06434 |
p orbital |
no data |
no data |
d orbital |
52.8 |
0.997057 |
f orbital |
no data |
no data |
References
The Rmax values for neutral gaseous element valence orbitals are abstracted from reference 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, Zeff. Follow the hyperlinks for more details and for graphs in various formats.
Table: effective nuclear charges for titanium
1s | 21.44 |
|
2s | 15.38 |
2p | 18.06 |
|
3s | 11.03 |
3p | 10.10 |
3d | 8.14 |
|
4s | 4.82 |
4p | no data |
4d | no data |
4f | no data |
5s | no data |
5p | no data |
5d | no data |
|
6s | no data |
6p | no data |
|
7s | |
|
References
These effective nuclear charges, Zeff, are adapted from the following references:
- E. Clementi and D.L.Raimondi, J. Chem. Phys. 1963, 38, 2686.
- 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 titanium.
Label |
Orbital |
eV [literature reference] |
K | 1s | 4966 [1] |
L I | 2s | 560.9 [3] |
L II | 2p1/2 | 460.2 [3] |
L III | 2p3/2 | 453.8 [3] |
M I | 3s | 58.7 [3] |
M II | 3p1/2 | 32.6 [3] |
M III | 3p3/2 | 32.6 [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
- J. A. Bearden and A. F. Burr, "Reevaluation of X-Ray Atomic Energy Levels," Rev. Mod. Phys., 1967, 39, 125.
- M. Cardona and L. Ley, Eds., Photoemission in Solids I: General Principles (Springer-Verlag, Berlin) with additional corrections, 1978.
- J. C. Fuggle and N. Mårtensson, "Core-Level Binding Energies in Metals," J. Electron Spectrosc. Relat. Phenom., 1980, 21, 275.
- Gwyn Williams WWW table of values
- D.R. Lide, (Ed.) in Chemical Rubber Company handbook of chemistry and physics, CRC Press, Boca Raton, Florida, USA, 81st edition, 2000.
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