Hueckel Method

Hueckel Method

Frederic P. Miller, Agnes F. Vandome, John McBrewster

     

бумажная книга



Издательство: Книга по требованию
Дата выхода: июль 2011
ISBN: 978-6-1307-1918-0
Объём: 76 страниц
Масса: 135 г
Размеры(В x Ш x Т), см: 23 x 16 x 1

The Huckel method or Huckel molecular orbital method (HMO) proposed by Erich Huckel in 1930, is a very simple linear combination of atomic orbitals molecular orbitals (LCAO MO) method for the determination of energies of molecular orbitals of pi electrons in conjugated hydrocarbon systems, such as ethene, benzene and butadiene. It is the theoretical basis for the Huckel's rule; the extended Huckel method developed by Roald Hoffmann is the basis of the Woodward-Hoffmann rules . It was later extended to conjugated molecules such as pyridine, pyrrole and furan that contain atoms other than carbon, known in this context as heteroatoms. It is a very powerful educational tool and details appear in many chemistry textbooks.

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