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X-ray notation

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X-ray notation is a method of labeling atomic orbitals that grew out of X-ray science. Also known as IUPAC notation, it was adopted by the International Union of Pure and Applied Chemistry in 1991 as a simplification of the older Siegbahn notation.^[1] In X-ray notation, every principal quantum number is given a letter associated with it. In many areas of physics and chemistry, atomic orbitals are described with spectroscopic notation (1s, 2s, 2p, 3s, 3p, etc.), but the more traditional X-ray notation is still used with most X-ray spectroscopy techniques including AES and XPS.

Conversion

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Conversion^[2]^[3]
Quantum numbers				Atomic notation	X-ray notation
$n$	$\ell$	$s$	$j$	Atomic notation	X-ray notation
1	0	1/2	1/2	1s_1/2	K₁
2	0	1/2	1/2	2s_1/2	L₁
2	1	1/2	1/2	2p_1/2	L₂
2	1	1/2	3/2	2p_3/2	L₃
3	0	1/2	1/2	3s_1/2	M₁
3	1	1/2	1/2	3p_1/2	M₂
3	1	1/2	3/2	3p_3/2	M₃
3	2	1/2	3/2	3d_3/2	M₄
3	2	1/2	5/2	3d_5/2	M₅
4	0	1/2	1/2	4s_1/2	N₁
4	1	1/2	1/2	4p_1/2	N₂
4	1	1/2	3/2	4p_3/2	N₃
4	2	1/2	3/2	4d_3/2	N₄
4	2	1/2	5/2	4d_5/2	N₅
4	3	1/2	5/2	4f_5/2	N₆
4	3	1/2	7/2	4f_7/2	N₇

Uses

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X-ray sources are classified by the type of material and orbital used to generate them. For example, Cu_Kα X-rays are emitted from the K orbital of copper.
X-ray absorption is reported as which orbital absorbed the x-ray photon. In EXAFS and XMCD the L-edge or the L absorption edge is the point where the L orbital begins to absorb x-rays.
Auger peaks are identified with three orbital definitions, for example KL₁L₂. In this case, K represents the hole that is initially present at the core level, L₁ the initial state of the electron that relaxes down into the core level hole, and L₂ the initial energy state of the emitted electron.

References

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^ R. JENKINS, R. MANNE, R. ROBIN and C. SENEMAUD (1991). "NOMENCLATURE SYSTEM FOR X-RAY SPECTROSCOPY" (PDF). IUPAC. Retrieved 10 May 2018.{{cite web}}: CS1 maint: multiple names: authors list (link)

^ Dr. Garrett's Class Notes page 12 http://www.cem.msu.edu/~cem924sg/Topic09.pdf Retrieved 10-07-08

^ IUPAC Table VIII.1 page 5 http://old.iupac.org/reports/V/spectro/partVIII.pdf Retrieved 30-05-09

Retrieved from "https://en.wikipedia.org/w/index.php?title=X-ray_notation&oldid=1143420746" Last edited on 7 March 2023, at 16:27

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X-ray notation

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Conversion

Uses

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References

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