z-logo
Premium
Extended Hückel Orbital Forces and the Jahn‐Teller Distortions in Molecules
Author(s) -
Letelier Jorge Ricardo,
ToroLabbé Alejandro,
Chiu YingNan
Publication year - 1999
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.199900049
Subject(s) - chemistry , planar , symmetry (geometry) , formalism (music) , force constant , jahn–teller effect , molecular orbital , extended hückel method , molecular physics , molecule , classical mechanics , atomic physics , quantum mechanics , geometry , physics , art , musical , ion , mathematics , computer graphics (images) , organic chemistry , computer science , visual arts
Abstract Linear orbital vibronic constants are calculated within the Extended Hückel formalism and used to evaluate the forces acting on the atoms along the symmetry coordinates, in a planar arrangement of four identical atoms. It is shown, from the magnitude and direction of the forces, that the high‐symmetry square planar arrangement is unstable and distorts to lower symmetry.

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here