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Huckel Molecular Orbitals in Homonuclear Diatomic Molecules — A Comment on the Extended Huckel Theory
Author(s) -
Ting ChenHanson
Publication year - 1969
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.196900002
Subject(s) - homonuclear molecule , chemistry , hückel method , extended hückel method , diatomic molecule , computational chemistry , atomic orbital , differential (mechanical device) , molecular orbital , molecule , atomic physics , quantum mechanics , physics , thermodynamics , electron , organic chemistry
The extended Huckel theory suggesteted by Hoffmann can be further simplified by neglecting the differential overlap integrals. The results agree fair well with the SCF‐MO theory in the cases of B 2 , C 2 , N 2 , O 2 , and F 2 .