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Theory of Jahn-Teller interaction in metallocenes: II. Chromocene

✍ Scribed by R. Rai


Book ID
103891439
Publisher
Elsevier Science
Year
1988
Weight
294 KB
Volume
150
Category
Article
ISSN
0378-4363

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✦ Synopsis


The 'E,,(e&ai,) ground state of chromocene is treated as a system consisting of two holes, one in the ezl and the other in the a,, orbital. By a suitable choice of the basis vectors the vibronic eigenvalue equations of this case are transformed into isomorphic forms to the corresponding equation for the one electron case. The method of canonical transformation and variational approach developed in part I therefore is applied to chromocene also. The variational wavefunctions and energies are used to explain the EPR and Raman spectroscopy results on the complex.


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