Subject: Jahn-Teller

From: [email-masked] (Jamorski Christine)
Date: Fri, 26 May 1995 13:08:57 -0400 (EDT)

Hello,

  For a D4h structure of Eg electronic state, two Jahn-Teller
deformations can occur according to the B1g and B2g vibrational 
modes leading to rectangular and rhombic structures, respectively.  
The question is: must both deformation leads to more energetically
stable structures?  Or is it possible to find, for example, 
that the rectangle is energitically lower than the square while
the rhombus would be less stable than the square?

    C. Jamorski

-- 
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  !  Christine Jamorski              [email-masked]!
  !  Departement de Chimie                                              !
  !  Universite de Montreal                          ===   ====         !
  !  Case postale 6128                                  ===  ===        !
  !  succursale centre-ville                              === ===       !
  !  MONTREAL (QUEBEC) H3C 3J7                             |_o_|        !
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