Thallium: orbital properties

Valence shell orbital radii

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

Table: valence shell orbital radii for thallium.
Orbital Radius [/pm] Radius [/AU]
s orbital 129.7 2.45141
p orbital 165.9 3.13572
d orbital 58.4 1.10329
f orbital 18.8 0.354567

Valence shell radii (valence s-orbital)

References

The Rmax 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, Zeff. Follow the hyperlinks for more details and for graphs in various formats.

Table: effective nuclear charges for thallium
1s 79.44  
2s 59.68 2p 76.49  
3s 57.42 3p 58.37 3d 67.53  
4s 46.08 4p 45.22 4d 43.39 4f 42.87
5s 29.12 5p 27.09 5d 22.03  
6s 12.82 6p 12.25  
7s   

Effective nuclear charge (Clementi): 1s orbital

References

These effective nuclear charges, Zeff, 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 thallium.
Label Orbital eV [literature reference]
K 1s 85530 [1]
L I2s 15347 [1]
L II2p1/2 14698 [1]
L III2p3/2 12658 [1]
M I3s 3704 [1]
M II3p1/2 3416 [1]
M III3p3/2 2957 [1]
M IV3d3/2 2485 [1]
M V3d5/2 2389 [1]
N I4s 846.2 [3]
N II4p1/2 720.5 [3]
N III4p3/2 609.5 [3]
N IV4d3/2 405.7 [3]
N V4d5/2 385 [3]
N VI4f5/2 122.2 [3]
N VII4f7/2 117.8 [3]
O I5s 136 [2, values derived from reference 1]
O II5p1/2 94.6 [3]
O III5p3/2 73.5 [3]
O IV5d3/2 14.7 [3]
O V5d5/2 12.5 [3]

Electron binding energy for K shell

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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thallium atomic number