Physics:Quantum Orbital hybridisation - Revision history

WikiHarold: Restore missing Quantum reference definitions

2026-05-24T00:31:21Z

Restore missing Quantum reference definitions

← Older revision		Revision as of 00:31, 24 May 2026
Line 34:		Line 34:
	}}</ref> Pauling pointed out that a carbon atom forms four bonds by using one s and three p orbitals, so that "it might be inferred" that a carbon atom would form three bonds at right angles (using p orbitals) and a fourth weaker bond using the s orbital in some arbitrary direction. In reality, methane has four C–H bonds of equivalent strength. The angle between any two bonds is the tetrahedral bond angle of 109°28'<ref>{{cite journal\|doi=10.1021/ed022p145\|title=Valence Angle of the Tetrahedral Carbon Atom\|first=W. E.\|last=Brittin\|journal=J. Chem. Educ.\|date=1945\|volume=22\|issue=3\|page=145\|bibcode=1945JChEd..22..145B}}</ref> (around 109.5°). Pauling supposed that in the presence of four hydrogen atoms, the s and p orbitals form four equivalent combinations which he called ''hybrid'' orbitals. Each hybrid is denoted sp<sup>3</sup> to indicate its composition, and is directed along one of the four C–H bonds.<ref>L. Pauling ''The Nature of the Chemical Bond'' (3rd ed., Oxford University Press 1960) p.111–120.</ref> This concept was developed for such simple chemical systems, but the approach was later applied more widely, and today it is considered an effective heuristic for rationalizing the structures of organic compounds. It gives a simple orbital picture equivalent to Lewis structures.		}}</ref> Pauling pointed out that a carbon atom forms four bonds by using one s and three p orbitals, so that "it might be inferred" that a carbon atom would form three bonds at right angles (using p orbitals) and a fourth weaker bond using the s orbital in some arbitrary direction. In reality, methane has four C–H bonds of equivalent strength. The angle between any two bonds is the tetrahedral bond angle of 109°28'<ref>{{cite journal\|doi=10.1021/ed022p145\|title=Valence Angle of the Tetrahedral Carbon Atom\|first=W. E.\|last=Brittin\|journal=J. Chem. Educ.\|date=1945\|volume=22\|issue=3\|page=145\|bibcode=1945JChEd..22..145B}}</ref> (around 109.5°). Pauling supposed that in the presence of four hydrogen atoms, the s and p orbitals form four equivalent combinations which he called ''hybrid'' orbitals. Each hybrid is denoted sp<sup>3</sup> to indicate its composition, and is directed along one of the four C–H bonds.<ref>L. Pauling ''The Nature of the Chemical Bond'' (3rd ed., Oxford University Press 1960) p.111–120.</ref> This concept was developed for such simple chemical systems, but the approach was later applied more widely, and today it is considered an effective heuristic for rationalizing the structures of organic compounds. It gives a simple orbital picture equivalent to Lewis structures.

	Hybridisation theory is an integral part of organic chemistry, one of the most compelling examples being Baldwin's rules. For drawing reaction mechanisms sometimes a classical bonding picture is needed with two atoms sharing two electrons.<ref></ref> Hybridisation theory explains bonding in alkenes<ref>''Organic Chemistry'', Third Edition Marye Anne Fox James K. Whitesell '''2003''' {{ISBN\|978-0-7637-3586-9}}</ref> and methane.<ref>''Organic Chemistry'' 3rd Ed. '''2001''' Paula Yurkanis Bruice {{ISBN\|978-0-130-17858-9}}</ref> The amount of p character or s character, which is decided mainly by orbital hybridisation, can be used to reliably predict molecular properties such as acidity or basicity.<ref>{{cite web		Hybridisation theory is an integral part of organic chemistry, one of the most compelling examples being Baldwin's rules. For drawing reaction mechanisms sometimes a classical bonding picture is needed with two atoms sharing two electrons.<ref>{{cite book \|last1=Clayden \|first1=Jonathan \|last2=Greeves \|first2=Nick \|last3=Warren \|first3=Stuart \|title=Organic Chemistry \|edition=2nd \|publisher=Oxford University Press \|date=2012 \|isbn=978-0-19-927029-3 \|page=105}}</ref> Hybridisation theory explains bonding in alkenes<ref>''Organic Chemistry'', Third Edition Marye Anne Fox James K. Whitesell '''2003''' {{ISBN\|978-0-7637-3586-9}}</ref> and methane.<ref>''Organic Chemistry'' 3rd Ed. '''2001''' Paula Yurkanis Bruice {{ISBN\|978-0-130-17858-9}}</ref> The amount of p character or s character, which is decided mainly by orbital hybridisation, can be used to reliably predict molecular properties such as acidity or basicity.<ref>{{cite web
	\| title = Acids and Bases		\| title = Acids and Bases
	\| url = http://orgomadesimple.com/organic-chemistry-acids-and-bases/		\| url = http://orgomadesimple.com/organic-chemistry-acids-and-bases/
Line 520:		Line 520:
	{{#invoke:PhysicsQC\|tocHeadingAndList\|Physics:Quantum basics/See also}}		{{#invoke:PhysicsQC\|tocHeadingAndList\|Physics:Quantum basics/See also}}

	== References ==		= References =
	{{reflist}}		{{reflist}}

WikiHarold: Remove final Quantum red link remnants

2026-05-24T00:02:44Z

Remove final Quantum red link remnants

← Older revision		Revision as of 00:02, 24 May 2026
Line 497:		Line 497:

	== Localised vs canonical molecular orbitals ==		== Localised vs canonical molecular orbitals ==
	~~{{main\|Localized molecular orbitals{{!}}Localised molecular orbitals\|Natural bond orbital}}~~

	Bonding orbitals formed from hybrid atomic orbitals may be considered as localised molecular orbitals, which can be formed from the delocalised orbitals of molecular orbital theory by an appropriate mathematical transformation. For molecules in the ground state, this transformation of the orbitals leaves the total many-electron wave function unchanged. The hybrid orbital description of the ground state is therefore ''equivalent'' to the delocalised orbital description for ground state total energy and electron density, as well as the molecular geometry that corresponds to the minimum total energy value.		Bonding orbitals formed from hybrid atomic orbitals may be considered as localised molecular orbitals, which can be formed from the delocalised orbitals of molecular orbital theory by an appropriate mathematical transformation. For molecules in the ground state, this transformation of the orbitals leaves the total many-electron wave function unchanged. The hybrid orbital description of the ground state is therefore ''equivalent'' to the delocalised orbital description for ground state total energy and electron density, as well as the molecular geometry that corresponds to the minimum total energy value.

WikiHarold: Remove imported red links from Quantum page

2026-05-23T23:46:33Z

Remove imported red links from Quantum page

← Older revision		Revision as of 23:46, 23 May 2026
Line 34:		Line 34:
	}}</ref> Pauling pointed out that a carbon atom forms four bonds by using one s and three p orbitals, so that "it might be inferred" that a carbon atom would form three bonds at right angles (using p orbitals) and a fourth weaker bond using the s orbital in some arbitrary direction. In reality, methane has four C–H bonds of equivalent strength. The angle between any two bonds is the tetrahedral bond angle of 109°28'<ref>{{cite journal\|doi=10.1021/ed022p145\|title=Valence Angle of the Tetrahedral Carbon Atom\|first=W. E.\|last=Brittin\|journal=J. Chem. Educ.\|date=1945\|volume=22\|issue=3\|page=145\|bibcode=1945JChEd..22..145B}}</ref> (around 109.5°). Pauling supposed that in the presence of four hydrogen atoms, the s and p orbitals form four equivalent combinations which he called ''hybrid'' orbitals. Each hybrid is denoted sp<sup>3</sup> to indicate its composition, and is directed along one of the four C–H bonds.<ref>L. Pauling ''The Nature of the Chemical Bond'' (3rd ed., Oxford University Press 1960) p.111–120.</ref> This concept was developed for such simple chemical systems, but the approach was later applied more widely, and today it is considered an effective heuristic for rationalizing the structures of organic compounds. It gives a simple orbital picture equivalent to Lewis structures.		}}</ref> Pauling pointed out that a carbon atom forms four bonds by using one s and three p orbitals, so that "it might be inferred" that a carbon atom would form three bonds at right angles (using p orbitals) and a fourth weaker bond using the s orbital in some arbitrary direction. In reality, methane has four C–H bonds of equivalent strength. The angle between any two bonds is the tetrahedral bond angle of 109°28'<ref>{{cite journal\|doi=10.1021/ed022p145\|title=Valence Angle of the Tetrahedral Carbon Atom\|first=W. E.\|last=Brittin\|journal=J. Chem. Educ.\|date=1945\|volume=22\|issue=3\|page=145\|bibcode=1945JChEd..22..145B}}</ref> (around 109.5°). Pauling supposed that in the presence of four hydrogen atoms, the s and p orbitals form four equivalent combinations which he called ''hybrid'' orbitals. Each hybrid is denoted sp<sup>3</sup> to indicate its composition, and is directed along one of the four C–H bonds.<ref>L. Pauling ''The Nature of the Chemical Bond'' (3rd ed., Oxford University Press 1960) p.111–120.</ref> This concept was developed for such simple chemical systems, but the approach was later applied more widely, and today it is considered an effective heuristic for rationalizing the structures of organic compounds. It gives a simple orbital picture equivalent to Lewis structures.

	Hybridisation theory is an integral part of organic chemistry, one of the most compelling examples being Baldwin's rules. For drawing reaction mechanisms sometimes a classical bonding picture is needed with two atoms sharing two electrons.<ref>~~{{Clayden\|page=105}}~~</ref> Hybridisation theory explains bonding in alkenes<ref>''Organic Chemistry'', Third Edition Marye Anne Fox James K. Whitesell '''2003''' {{ISBN\|978-0-7637-3586-9}}</ref> and methane.<ref>''Organic Chemistry'' 3rd Ed. '''2001''' Paula Yurkanis Bruice {{ISBN\|978-0-130-17858-9}}</ref> The amount of p character or s character, which is decided mainly by orbital hybridisation, can be used to reliably predict molecular properties such as acidity or basicity.<ref>{{cite web		Hybridisation theory is an integral part of organic chemistry, one of the most compelling examples being Baldwin's rules. For drawing reaction mechanisms sometimes a classical bonding picture is needed with two atoms sharing two electrons.<ref></ref> Hybridisation theory explains bonding in alkenes<ref>''Organic Chemistry'', Third Edition Marye Anne Fox James K. Whitesell '''2003''' {{ISBN\|978-0-7637-3586-9}}</ref> and methane.<ref>''Organic Chemistry'' 3rd Ed. '''2001''' Paula Yurkanis Bruice {{ISBN\|978-0-130-17858-9}}</ref> The amount of p character or s character, which is decided mainly by orbital hybridisation, can be used to reliably predict molecular properties such as acidity or basicity.<ref>{{cite web
	\| title = Acids and Bases		\| title = Acids and Bases
	\| url = http://orgomadesimple.com/organic-chemistry-acids-and-bases/		\| url = http://orgomadesimple.com/organic-chemistry-acids-and-bases/
Line 312:		Line 312:

	== Hypervalent molecules ==		== Hypervalent molecules ==
	~~{{Main\|Physics:Hypervalent molecule}}~~

	=== Octet expansion ===		=== Octet expansion ===
	In some general chemistry textbooks, hybridization is presented for main group coordination number 5 and above using an "expanded octet" scheme with d-orbitals first proposed by Pauling. However, such a scheme is now considered to be incorrect in light of computational chemistry calculations.		In some general chemistry textbooks, hybridization is presented for main group coordination number 5 and above using an "expanded octet" scheme with d-orbitals first proposed by Pauling. However, such a scheme is now considered to be incorrect in light of computational chemistry calculations.
Line 504:		Line 502:

	=== Two localised representations ===		=== Two localised representations ===
	~~{{Main\|Chemistry:Sigma-pi and equivalent-orbital models}}~~

	[[File:H2O lone pairs two descriptions.png\|thumb\|The symmetry-adapted and hybridised lone pairs of H<sub>2</sub>O]]		[[File:H2O lone pairs two descriptions.png\|thumb\|The symmetry-adapted and hybridised lone pairs of H<sub>2</sub>O]]
	Molecules with multiple bonds or multiple lone pairs can have orbitals represented in terms of sigma and pi symmetry or equivalent orbitals. Different valence bond methods use either of the two representations, which have mathematically equivalent total many-electron wave functions and are related by a unitary transformation of the set of occupied molecular orbitals.		Molecules with multiple bonds or multiple lone pairs can have orbitals represented in terms of sigma and pi symmetry or equivalent orbitals. Different valence bond methods use either of the two representations, which have mathematically equivalent total many-electron wave functions and are related by a unitary transformation of the set of occupied molecular orbitals.
Line 534:		Line 530:
	* [http://college.hmco.com/chemistry/shared/media/zumdahl/dswmedia/undr_dcr/Ch14_u14a.dcr Understanding Concepts: Molecular Orbitals] {{Webarchive\|url=https://archive.today/20130411024435/http://college.hmco.com/chemistry/shared/media/zumdahl/dswmedia/undr_dcr/Ch14_u14a.dcr \|date=2013-04-11 }}		* [http://college.hmco.com/chemistry/shared/media/zumdahl/dswmedia/undr_dcr/Ch14_u14a.dcr Understanding Concepts: Molecular Orbitals] {{Webarchive\|url=https://archive.today/20130411024435/http://college.hmco.com/chemistry/shared/media/zumdahl/dswmedia/undr_dcr/Ch14_u14a.dcr \|date=2013-04-11 }}
	* [https://www.grandinetti.org/orbital-hybridization General Chemistry tutorial on orbital hybridization]		* [https://www.grandinetti.org/orbital-hybridization General Chemistry tutorial on orbital hybridization]

	~~{{Chemical bonding theory\|state=expanded}}~~
	~~{{Linus Pauling}}~~

	~~[[Category:Chemical bonding]]~~
	~~[[Category:Molecular geometry]]~~
	~~[[Category:Stereochemistry]]~~
	~~[[Category:Quantum chemistry]]~~

	{{Sourceattribution\|Orbital hybridisation}}		{{Sourceattribution\|Orbital hybridisation}}

WikiHarold: Clean Quantum page image and red links

2026-05-23T23:33:09Z

Clean Quantum page image and red links

Show changes

WikiHarold: Use Quantum See also index module

2026-05-23T22:20:29Z

Use Quantum See also index module

← Older revision		Revision as of 22:20, 23 May 2026
Line 523:		Line 523:

	== See also ==		== See also ==
	* [[Physics:Crystal field theory\|Crystal field theory]]		{{#invoke:PhysicsQC\|tocHeadingAndList\|Physics:Quantum basics/See also}}
	* [[Chemistry:Isovalent hybridization\|Isovalent hybridisation]]
	* [[Chemistry:~~Ligand field theory~~\|~~Ligand field theory]]~~
	* [[Physics:Linear combination of atomic orbitals\|~~Linear combination of atomic orbitals]]~~
	* MO diagrams
	* [[Physics:~~VALBOND\|VALBOND]]~~

	== References ==		== References ==
Line 542:		Line 537:
	{{Chemical bonding theory\|state=expanded}}		{{Chemical bonding theory\|state=expanded}}
	{{Linus Pauling}}		{{Linus Pauling}}


	[[Category:Chemical bonding]]		[[Category:Chemical bonding]]

Harold: Add missing image fallback to Quantum header

2026-05-17T22:32:47Z

Add missing image fallback to Quantum header

← Older revision		Revision as of 22:32, 17 May 2026
Line 14:		Line 14:

	<div style="width:300px;">		<div style="width:300px;">
	~~<!--~~ No ~~lead~~ image available ~~in existing page~~. ~~-->~~		[[File:File not found.png\|thumb\|280px\|No image available.]]
	</div>		</div>

Harold: Restore Quantum article header template

2026-05-17T21:51:24Z

Restore Quantum article header template

@@ Line 1: / Line 1: @@
 {{Short description|Mixing (superposition) of atomic orbitals}}
 In [[HandWiki:Chemistry|chemistry]], '''orbital hybridisation''' (or '''hybridization''') is the concept of mixing [[Physics:Atomic orbital|atomic orbital]]s to form new ''hybrid orbitals'' (with different energies, shapes, etc., than the component atomic orbitals) suitable for the pairing of electrons to form [[Chemistry:Chemical bond|chemical bond]]s in [[Chemistry:Valence bond theory|valence bond theory]]. For example, in a carbon atom which forms four single bonds, the valence-shell s orbital combines with three valence-shell p orbitals to form four equivalent sp<sup>3</sup> mixtures in a [[Physics:Tetrahedral molecular geometry|tetrahedral]] arrangement around the carbon to bond to four different atoms. Hybrid orbitals are useful in the explanation of [[Physics:Molecular geometry|molecular geometry]] and atomic bonding properties and are symmetrically disposed in space. Usually hybrid orbitals are formed by mixing atomic orbitals of comparable energies.<ref>{{cite book |last1=Housecroft |first1=Catherine E. |last2=Sharpe |first2=Alan G. |title=Inorganic Chemistry |date=2005 |publisher=Pearson Prentice-Hal |isbn=0130-39913-2 |page=100 |edition=2nd}}</ref>
 == History and uses ==

imported>WikiHarold at 13:57, 4 May 2026

2026-05-04T13:57:32Z

← Older revision	Revision as of 13:57, 4 May 2026
(No difference)

imported>WikiHarold at 13:57, 4 May 2026

2026-05-04T13:57:32Z

Show changes