Titanium: properties of free atoms

Titanium atoms have 22 electrons and the shell structure is  2.8.10.2.

The ground state electron configuration of ground state gaseous neutral titanium is  [Ar].3d2.4s2 and the term symbol is  3F2.

Atomic spectrum

 

A representation of the atomic spectrum of titanium.

Electronic configuration of neutral atomic titanium

Electronic configuration of titanium

The electronic configuration of titanium.

Kossel shell structure of titanium

The Kossel shell structure of titanium.

Ionisation Energies and electron affinity

The electron affinity of titanium is 7.6 kJ mol‑1. The ionisation energies of titanium are given below.

Ionisation energies of titanium
Ionisation energy number Enthalpy / kJ mol‑1
1st658.8
2nd1309.8
3rd2652.5
4th4174.6
5th9581
6th11533
7th13590
8th16440
9th18530
10th20833
11th25575
12th28125
13th76015
14th83280
15th90880
16th100700
17th109100
18th117800
19th129900
20th137530
21st602930

Effective Nuclear Charges

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

Effective nuclear charges for titanium
1s21.44  
2s15.38 2p18.06  
3s11.03 3p10.10 3d8.14  
4s4.82 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:

  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

Electron binding energies for titanium. 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.
Label Orbital eV [literature reference]
K 1s4966 [1]
L I2s560.9 [3]
L II2p1/2460.2 [3]
L III2p3/2453.8 [3]
M I3s58.7 [3]
M II3p1/232.6 [3]
M III3p3/232.6 [3]

Notes

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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