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Hückel method

The Hückel method or Hückel molecular orbital theory, proposed by Erich Hückel in 1930, is a simple method for calculating molecular orbitals as linear combinations of atomic orbitals. The theory predicts the molecular orbitals for π-electrons in π-delocalized molecules, such as ethylene, benzene, butadiene, and pyridine. It provides the theoretical…

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Overview

Hückel characteristics

Hückel results

Delocalization energy, π-bond orders, and π-electron populations

Mathematics behind the Hückel method

Hückel solution for ethylene in detail

Hückel solution for 1,3-butadiene

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Hückel method

Nodes98
Edges97
Triples46
Avg. degree1.98
Density0.020408
Components1

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Hückel method

Top relations

related to External links · 23
Hückel method → Archived, Arvi, August, Carissan, French, Goudard, Hagebaum-Reignier, HuLiS, Humbel, Hückel, Java Applet, Lock-gray-alt-2, Lock-green, Lock-red-alt-2, Mesomery, Rauk, Retrieved, SHMO, Simple Hückel Molecular Orbital, Simple Hückel Theory
related to Hückel characteristics · 12
Hückel method → Coulomb, For, Hamiltonian, However, Hückel, In, It, Only, Schrödinger, The, This, To
related to Mathematics behind the Hückel method · 7
Hückel method → Hückel, In, LCAO, MO, Ritz, The, Thus

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Important terminology

hückel displaystyle orbitals energy orbital theory molecular benzene method molecules ethylene value energies linear beta two degenerate overlap bond atomic

Entity relationships Subject–Predicate–Object triples

SubjectPredicateObjectConfidenceSrc
pyridineinstance ofIt was later extended to conjugated molecules0.80text
pyrroleinstance ofIt was later extended to conjugated molecules0.80text
furan that contain atoms other than carboninstance ofIt was later extended to conjugated molecules0.80text
hydrogeninstance ofIt was later extended to conjugated molecules0.80text
Hückel methodrelated to External linksHückel0.60section
Hückel methodrelated to External linksLock-green0.60section
Hückel methodrelated to External linksLock-gray-alt-20.60section
Hückel methodrelated to External linksLock-red-alt-20.60section
Hückel methodrelated to External linksWikisource-logo0.60section
Hückel methodrelated to External linksGoudard0.60section
Hückel methodrelated to External linksCarissan0.60section
Hückel methodrelated to External linksHagebaum-Reignier0.60section

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