Physics:Quantum atoms/electron configuration - Revision history

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History

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	== History ==		== History ==
	The concept of electron arrangement developed from early atomic theory and spectroscopy. Irving Langmuir proposed a shell-like arrangement of electrons in 1919.<ref>{{cite journal \|last1=Langmuir \|first1=Irving \|author1-link=Irving Langmuir \|date=June 1919 \|title=The Arrangement of Electrons in Atoms and Molecules \|journal=Journal of the American Chemical Society \|volume=41 \|issue=6 \|pages=868–934 \|doi=10.1021/ja02227a002\|bibcode=1919JAChS..41..868L \|url=https://zenodo.org/record/1429026 }}</ref> Niels Bohr later connected electron shells with periodicity in the elements.<ref name="Bohr">{{cite journal \| last = Bohr \| first = Niels \| s2cid = 123582460 \| author-link = Niels Bohr \| title = Über die Anwendung der Quantumtheorie auf den Atombau. I \| journal = Zeitschrift für Physik\| year = 1923 \| volume = 13 \| issue = 1 \| page = 117\|bibcode = 1923ZPhy...13..117B \|doi = 10.1007/BF01328209 }}</ref>		The concept of electron arrangement developed from early atomic theory and spectroscopy. Irving Langmuir proposed a shell-like arrangement of electrons in 1919.<ref>{{cite journal \|last1=Langmuir \|first1=Irving \|author1-link=Irving Langmuir \|date=June 1919 \|title=The Arrangement of Electrons in Atoms and Molecules \|journal=Journal of the American Chemical Society \|volume=41 \|issue=6 \|pages=868–934 \|doi=10.1021/ja02227a002\|bibcode=1919JAChS..41..868L \|url=https://zenodo.org/record/1429026 }}</ref> [[Biography:Niels Bohr\|Niels Bohr]] later connected electron shells with periodicity in the elements.<ref name="Bohr">{{cite journal \| last = Bohr \| first = Niels \| s2cid = 123582460 \| author-link = Niels Bohr \| title = Über die Anwendung der Quantumtheorie auf den Atombau. I \| journal = Zeitschrift für Physik\| year = 1923 \| volume = 13 \| issue = 1 \| page = 117\|bibcode = 1923ZPhy...13..117B \|doi = 10.1007/BF01328209 }}</ref>

	Richard Abegg described valence electrons in 1904.<ref>{{cite journal		[[Biography:Richard Abegg\|Richard Abegg]] described valence electrons in 1904.<ref>{{cite journal
	\| doi = 10.1002/zaac.19040390125		\| doi = 10.1002/zaac.19040390125
	\| volume = 39		\| volume = 39
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	\| year = 1904		\| year = 1904
	\| url = https://zenodo.org/record/1428102		\| url = https://zenodo.org/record/1428102
	}}</ref> E. C. Stoner improved the shell model by incorporating an additional quantum number.<ref>{{cite journal \| doi = 10.1080/14786442408634535 \| last = Stoner \| first = E.C. \| author-link = Edmund Clifton Stoner \| title = The distribution of electrons among atomic levels \| journal = Philosophical Magazine \|series=6th Series\| volume = 48 \| year = 1924 \| pages = 719–36 \| issue = 286}}</ref> Wolfgang Pauli introduced the exclusion principle in 1925, providing the key rule for shell and subshell occupation.<ref>{{cite journal \| last = Pauli \| first = Wolfgang \| s2cid = 122477612 \| author-link=Wolfgang Pauli \| title = Über den Einfluss der Geschwindigkeitsabhändigkeit der elektronmasse auf den Zeemaneffekt \| journal = Zeitschrift für Physik\| year = 1925 \| volume = 31 \| issue = 1 \| pages = 373 \| doi = 10.1007/BF02980592\|bibcode = 1925ZPhy...31..373P }} English translation from {{cite journal \| last = Scerri \| first = Eric R. \| url = http://www.chem.ucla.edu/dept/Faculty/scerri/pdf/BJPS.pdf \| title = The Electron Configuration Model, Quantum Mechanics and Reduction \| journal = The British Journal for the Philosophy of Science\| year = 1991 \| volume = 42 \| issue = 3 \| pages = 309–25 \| doi = 10.1093/bjps/42.3.309}}</ref>		}}</ref> [[Biography:E. C. Stoner\|E. C. Stoner]] improved the shell model by incorporating an additional quantum number.<ref>{{cite journal \| doi = 10.1080/14786442408634535 \| last = Stoner \| first = E.C. \| author-link = Edmund Clifton Stoner \| title = The distribution of electrons among atomic levels \| journal = Philosophical Magazine \|series=6th Series\| volume = 48 \| year = 1924 \| pages = 719–36 \| issue = 286}}</ref> [[Biography:Wolfgang Pauli\|Wolfgang Pauli]] introduced the exclusion principle in 1925, providing the key rule for shell and subshell occupation.<ref>{{cite journal \| last = Pauli \| first = Wolfgang \| s2cid = 122477612 \| author-link=Wolfgang Pauli \| title = Über den Einfluss der Geschwindigkeitsabhändigkeit der elektronmasse auf den Zeemaneffekt \| journal = Zeitschrift für Physik\| year = 1925 \| volume = 31 \| issue = 1 \| pages = 373 \| doi = 10.1007/BF02980592\|bibcode = 1925ZPhy...31..373P }} English translation from {{cite journal \| last = Scerri \| first = Eric R. \| url = http://www.chem.ucla.edu/dept/Faculty/scerri/pdf/BJPS.pdf \| title = The Electron Configuration Model, Quantum Mechanics and Reduction \| journal = The British Journal for the Philosophy of Science\| year = 1991 \| volume = 42 \| issue = 3 \| pages = 309–25 \| doi = 10.1093/bjps/42.3.309}}</ref>

	The Schrödinger equation, published in 1926, supplied the modern quantum-mechanical basis for atomic orbitals and quantum numbers.		The Schrödinger equation, published in 1926, supplied the modern quantum-mechanical basis for atomic orbitals and quantum numbers.

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	A subshell is defined by the azimuthal quantum number {{mvar\|l}}. The values {{mvar\|l}} = 0, 1, 2, and 3 correspond to the s, p, d, and f subshells. The maximum number of electrons in a subshell is 2(2{{mvar\|l}} + 1), giving two electrons in an s subshell, six in a p subshell, and ten in a d subshell.		A subshell is defined by the azimuthal quantum number {{mvar\|l}}. The values {{mvar\|l}} = 0, 1, 2, and 3 correspond to the s, p, d, and f subshells. The maximum number of electrons in a subshell is 2(2{{mvar\|l}} + 1), giving two electrons in an s subshell, six in a p subshell, and ten in a d subshell.

	These limits follow from quantum mechanics and the Pauli exclusion principle, which states that no two electrons in the same atom can have the same set of four quantum numbers.~~<ref></ref>~~ A detailed treatment of atomic spectra and structure is given by Cowan.<ref>{{Cite book \|last=Cowan \|first=Robert D. \|title=The Theory of Atomic Structure and Spectra \|date=2020 \|publisher=University of California Press \|isbn=9780520906150}}</ref>		These limits follow from quantum mechanics and the Pauli exclusion principle, which states that no two electrons in the same atom can have the same set of four quantum numbers. A detailed treatment of atomic spectra and structure is given by Cowan.<ref>{{Cite book \|last=Cowan \|first=Robert D. \|title=The Theory of Atomic Structure and Spectra \|date=2020 \|publisher=University of California Press \|isbn=9780520906150}}</ref>

	== Notation ==		== Notation ==
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	* the Aufbau principle, which fills lower-energy orbitals before higher-energy orbitals		* the Aufbau principle, which fills lower-energy orbitals before higher-energy orbitals

	The Aufbau principle states that a maximum of two electrons are placed into orbitals in order of increasing orbital energy.~~<ref></ref>~~ In the Madelung rule, subshells are filled by increasing {{mvar\|n}} + {{mvar\|l}}; if two subshells have the same value, the one with lower {{mvar\|n}} is filled first.<ref name="Madelung">{{cite book \| last = Madelung \| first = Erwin \| author-link = Erwin Madelung \| title = Mathematische Hilfsmittel des Physikers \| location = Berlin \| publisher = Springer \| year = 1936}}</ref><ref>{{cite journal \| title = Theoretical justification of Madelung's rule \| journal = Journal of Chemical Education \| last = Wong \| first = D. Pan \| year = 1979 \| issue = 11 \| pages = 714–18 \| volume = 56 \| doi = 10.1021/ed056p714\|bibcode = 1979JChEd..56..714W }}</ref>		The Aufbau principle states that a maximum of two electrons are placed into orbitals in order of increasing orbital energy. In the Madelung rule, subshells are filled by increasing {{mvar\|n}} + {{mvar\|l}}; if two subshells have the same value, the one with lower {{mvar\|n}} is filled first.<ref name="Madelung">{{cite book \| last = Madelung \| first = Erwin \| author-link = Erwin Madelung \| title = Mathematische Hilfsmittel des Physikers \| location = Berlin \| publisher = Springer \| year = 1936}}</ref><ref>{{cite journal \| title = Theoretical justification of Madelung's rule \| journal = Journal of Chemical Education \| last = Wong \| first = D. Pan \| year = 1979 \| issue = 11 \| pages = 714–18 \| volume = 56 \| doi = 10.1021/ed056p714\|bibcode = 1979JChEd..56..714W }}</ref>

	The common filling sequence begins:		The common filling sequence begins:
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	Chemical environments can also change the effective configuration. For example, thorium ions and thorium compounds may show different orbital occupations.<ref>{{cite journal \|first1=Ryan R. \|last1=Langeslay \|first2=Megan E. \|last2=Fieser \|first3=Joseph W. \|last3=Ziller \|first4=Philip \|last4=Furche \|first5=William J. \|last5=Evans \|title=Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C<sub>5</sub>H<sub>3</sub>(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub>Th}<sup>1−</sup> anion containing thorium in the formal +2 oxidation state \|journal=Chem. Sci. \|year=2015 \|volume=6 \|pages=517–521 \|doi=10.1039/C4SC03033H\|pmc=5811171 \|pmid=29560172 \|issue=1 }}</ref><ref>{{cite book\|last1 = Wickleder\|first1 = Mathias S.\|first2 = Blandine\|last2 = Fourest\|first3 = Peter K.\|last3 = Dorhout\|ref = Wickleder et al.\|contribution = Thorium\|title = The Chemistry of the Actinide and Transactinide Elements\|editor1-first = Lester R.\|editor1-last = Morss\|editor2-first = Norman M.\|editor2-last = Edelstein\|editor3-first = Jean\|editor3-last = Fuger\|edition = 3rd\|date = 2006\|volume = 3\|publisher = Springer\|location = Dordrecht, the Netherlands\|pages = 52–160\|url = http://radchem.nevada.edu/classes/rdch710/files/thorium.pdf\|doi = 10.1007/1-4020-3598-5_3\| isbn=978-1-4020-3555-5 \|url-status = dead\|archive-url = https://web.archive.org/web/20160307160941/http://radchem.nevada.edu/classes/rdch710/files/Thorium.pdf\|archive-date = 2016-03-07}}</ref> In metals and compounds, configurations may be better described as mixtures or superpositions of several configurations.<ref>{{Cite journal\|doi = 10.26434/chemrxiv.11860941\|title = The Chemical Bond Across the Periodic Table: Part 1 – First Row and Simple Metals\|last1 = Ferrão\|first1 = Luiz\|last2 = Machado\|first2 = Francisco Bolivar Correto\|last3 = Cunha\|first3 = Leonardo dos Anjos\|last4 = Fernandes\|first4 = Gabriel Freire Sanzovo\|url = https://figshare.com/articles/The_Chemical_Bond_Across_the_Periodic_Table_Part_1_First_Row_and_Simple_Metals/11860941\|journal =ChemRxiv \| s2cid=226121612 \|access-date = 23 August 2020\|archive-date = 1 December 2020\|archive-url = https://web.archive.org/web/20201201001121/https://figshare.com/articles/The_Chemical_Bond_Across_the_Periodic_Table_Part_1_First_Row_and_Simple_Metals/11860941\|url-status = dead\|url-access = subscription\|doi-access = free}}</ref>		Chemical environments can also change the effective configuration. For example, thorium ions and thorium compounds may show different orbital occupations.<ref>{{cite journal \|first1=Ryan R. \|last1=Langeslay \|first2=Megan E. \|last2=Fieser \|first3=Joseph W. \|last3=Ziller \|first4=Philip \|last4=Furche \|first5=William J. \|last5=Evans \|title=Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C<sub>5</sub>H<sub>3</sub>(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub>Th}<sup>1−</sup> anion containing thorium in the formal +2 oxidation state \|journal=Chem. Sci. \|year=2015 \|volume=6 \|pages=517–521 \|doi=10.1039/C4SC03033H\|pmc=5811171 \|pmid=29560172 \|issue=1 }}</ref><ref>{{cite book\|last1 = Wickleder\|first1 = Mathias S.\|first2 = Blandine\|last2 = Fourest\|first3 = Peter K.\|last3 = Dorhout\|ref = Wickleder et al.\|contribution = Thorium\|title = The Chemistry of the Actinide and Transactinide Elements\|editor1-first = Lester R.\|editor1-last = Morss\|editor2-first = Norman M.\|editor2-last = Edelstein\|editor3-first = Jean\|editor3-last = Fuger\|edition = 3rd\|date = 2006\|volume = 3\|publisher = Springer\|location = Dordrecht, the Netherlands\|pages = 52–160\|url = http://radchem.nevada.edu/classes/rdch710/files/thorium.pdf\|doi = 10.1007/1-4020-3598-5_3\| isbn=978-1-4020-3555-5 \|url-status = dead\|archive-url = https://web.archive.org/web/20160307160941/http://radchem.nevada.edu/classes/rdch710/files/Thorium.pdf\|archive-date = 2016-03-07}}</ref> In metals and compounds, configurations may be better described as mixtures or superpositions of several configurations.<ref>{{Cite journal\|doi = 10.26434/chemrxiv.11860941\|title = The Chemical Bond Across the Periodic Table: Part 1 – First Row and Simple Metals\|last1 = Ferrão\|first1 = Luiz\|last2 = Machado\|first2 = Francisco Bolivar Correto\|last3 = Cunha\|first3 = Leonardo dos Anjos\|last4 = Fernandes\|first4 = Gabriel Freire Sanzovo\|url = https://figshare.com/articles/The_Chemical_Bond_Across_the_Periodic_Table_Part_1_First_Row_and_Simple_Metals/11860941\|journal =ChemRxiv \| s2cid=226121612 \|access-date = 23 August 2020\|archive-date = 1 December 2020\|archive-url = https://web.archive.org/web/20201201001121/https://figshare.com/articles/The_Chemical_Bond_Across_the_Periodic_Table_Part_1_First_Row_and_Simple_Metals/11860941\|url-status = dead\|url-access = subscription\|doi-access = free}}</ref>

	Relativistic effects become important for heavy elements and can shift orbital energies, especially for s and p orbitals.~~<ref></ref>~~<ref>{{cite journal \| first = Pekka \| last = Pyykkö \| title = Relativistic effects in structural chemistry \| journal = Chemical Reviews \|year = 1988 \| volume = 88 \| pages = 563–94 \| doi = 10.1021/cr00085a006 \| issue = 3}}</ref> Superheavy-element configurations are therefore partly predicted rather than experimentally verified.<ref>{{cite journal \|last1=Umemoto \|first1=Koichiro \|last2=Saito \|first2=Susumu \|date=1996 \|title=Electronic Configurations of Superheavy Elements \|url=https://journals.jps.jp/doi/pdf/10.1143/JPSJ.65.3175 \|journal=Journal of the Physical Society of Japan \|volume=65 \|issue=10 \|pages=3175–9 \|doi=10.1143/JPSJ.65.3175 \|bibcode=1996JPSJ...65.3175U \|access-date=31 January 2021\|url-access=subscription }}</ref><ref name=Haire>{{cite book\| title=The Chemistry of the Actinide and Transactinide Elements\| editor1-last=Morss\|editor2-first=Norman M.\| editor2-last=Edelstein\| editor3-last=Fuger\|editor3-first=Jean\| last1=Hoffman\|first1=Darleane C. \|last2=Lee \|first2=Diana M. \|last3=Pershina \|first3=Valeria \|chapter=Transactinides and the future elements\| publisher= Springer Science+Business Media\| year=2006\| isbn=978-1-4020-3555-5\| location=Dordrecht, The Netherlands\| edition=3rd}}</ref><ref>{{cite conference \|url=https://www.epj-conferences.org/articles/epjconf/pdf/2016/26/epjconf-NS160-01001.pdf \|title=Is the Periodic Table all right ("PT OK")? \|last1=Pyykkö \|first1=Pekka \|date=2016 \|conference=Nobel Symposium NS160 – Chemistry and Physics of Heavy and Superheavy Elements}}</ref>		Relativistic effects become important for heavy elements and can shift orbital energies, especially for s and p orbitals.<ref>{{cite journal \| first = Pekka \| last = Pyykkö \| title = Relativistic effects in structural chemistry \| journal = Chemical Reviews \|year = 1988 \| volume = 88 \| pages = 563–94 \| doi = 10.1021/cr00085a006 \| issue = 3}}</ref> Superheavy-element configurations are therefore partly predicted rather than experimentally verified.<ref>{{cite journal \|last1=Umemoto \|first1=Koichiro \|last2=Saito \|first2=Susumu \|date=1996 \|title=Electronic Configurations of Superheavy Elements \|url=https://journals.jps.jp/doi/pdf/10.1143/JPSJ.65.3175 \|journal=Journal of the Physical Society of Japan \|volume=65 \|issue=10 \|pages=3175–9 \|doi=10.1143/JPSJ.65.3175 \|bibcode=1996JPSJ...65.3175U \|access-date=31 January 2021\|url-access=subscription }}</ref><ref name=Haire>{{cite book\| title=The Chemistry of the Actinide and Transactinide Elements\| editor1-last=Morss\|editor2-first=Norman M.\| editor2-last=Edelstein\| editor3-last=Fuger\|editor3-first=Jean\| last1=Hoffman\|first1=Darleane C. \|last2=Lee \|first2=Diana M. \|last3=Pershina \|first3=Valeria \|chapter=Transactinides and the future elements\| publisher= Springer Science+Business Media\| year=2006\| isbn=978-1-4020-3555-5\| location=Dordrecht, The Netherlands\| edition=3rd}}</ref><ref>{{cite conference \|url=https://www.epj-conferences.org/articles/epjconf/pdf/2016/26/epjconf-NS160-01001.pdf \|title=Is the Periodic Table all right ("PT OK")? \|last1=Pyykkö \|first1=Pekka \|date=2016 \|conference=Nobel Symposium NS160 – Chemistry and Physics of Heavy and Superheavy Elements}}</ref>

	== Open and closed shells ==		== Open and closed shells ==

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	Atoms can return from excited states to lower states by emitting photons. This is why electron configuration is essential for understanding emission spectra, absorption spectra, lasers, and atomic lamps.		Atoms can return from excited states to lower states by emitting photons. This is why electron configuration is essential for understanding emission spectra, absorption spectra, lasers, and atomic lamps.

			== Historical names ==
			* [[Biography:Niels Bohr\|Niels Bohr]] introduced shell-like atomic structure in early quantum atomic theory.
			* [[Biography:Wolfgang Pauli\|Wolfgang Pauli]] formulated the exclusion principle that constrains electron configurations.
			* [[Biography:Friedrich Hund\|Friedrich Hund]] formulated rules for orbital occupation in atoms.
			* [[Biography:Erwin Madelung\|Erwin Madelung]] is associated with the commonly used orbital filling order.

	== History ==		== History ==

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	{{Short description\|Arrangement of electrons in an atom's orbitals}}		{{Short description\|Arrangement of electrons in an atom's orbitals}}Book II

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