Hybridization of atomic orbitals

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SUMMARY

Hybridization of atomic orbitals occurs exclusively between orbitals within the same atom that possess similar energies, resulting in the formation of new atomic orbitals suitable for chemical bonding. Common hybridization types include sp, sp2, and sp3. The discussion clarifies that while hybridization is a concept rooted in valence bond theory, instances where orbitals from different atoms appear to hybridize are often misinterpreted. Such cases typically involve molecular orbital (MO) or density functional theory (DFT) calculations, where the term hybridization is used more qualitatively to describe the superposition of atomic orbitals.

PREREQUISITES
  • Understanding of atomic orbitals and their energies
  • Familiarity with valence bond theory
  • Knowledge of molecular orbital (MO) theory
  • Basic principles of density functional theory (DFT)
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  • Explore molecular orbital theory and its applications
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mendes
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Hi all,

To my knowledge hybridization of atomc orbitals occurs only between orbitals in the same atom, with similar energies, in order to produce new atomic orbitals, identical with the same energy, to make chemical bonds with other atoms. There are sp, sp2, sp3, etc... possibilities.

My problem is that I often read about hybridization between an atomic orbital from one atom with another orbital from another atom !

http://www.google.is/search?hl=is&c...&q=TM-d+hybridize+O-p++ZnO&aq=f&aqi=&aql=&oq=Can anybody explain this type of "hybridization" of atomic orbitals between different atoms ? Is it just "overlap", i.e. chemical bond, or a real hybridization ?
 
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mendes said:
Hi all,

To my knowledge hybridization of atomc orbitals occurs only between orbitals in the same atom, with same energy, in order to produce new atomic orbitals, identical with the same energy, to make chemical bonds with other atoms. There are sp, sp2, sp3, etc... possibilities.
How many atoms do you know where s and p electrons have the same energy?
 
DrDu said:
How many atoms do you know where s and p electrons have the same energy?

I should have written "with similar energies" instead of "the same energy". Thanks.
 
Hybridization in the stricter sense is a term from valence bond theory. It refers to the use of a superposition of atomic orbitals instead of orbitals of pure s, p, d ... type. Occasionally, also hybrid orbitals including admixture of orbitals from neighbouring atoms are considered.
The examples you cited are MO or DFT type calculations. There, hybridization is used in a more qualitative sense, meaning simply that the band orbitals are a superposition of s and p or d orbitals.
 

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