Exchange Interaction Between Degenerate π Orbitals and Orbital Valence
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概要
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Magnetic interaction between two 7J orbitals in D,.. symmetry is discussedusing an effective Hamiltonian set up mainly from symmetry consideration. Theresonance effect between orbital structures n..x5 and x. "Z>+ is found mostimportant in determining the ground state ('I;) of the system. The obtainedenergy levels give a good description of the ground and lower excited states ofthe 0. molecule, so that the magnetism of O. can be explained by the valencebond theory only with correct care of the orbita.l valence. It is also shown thatthe same resonance effect makes "I" state of the n-n' system (e.g., CO molecule)most stable. The effective Ha.miltonian for a p-p system with D.,. symmetry isderived in a similar way. With t.-p isomorphism, the results reduce to the res-tricted form given recently by Drillon and Georges when several relations areassumed to hold among the parameters.
- 社団法人日本物理学会の論文
- 1982-05-15
著者
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Tanabe Yukito
Department Of Applied Physics Faculty Of Engineering The University Of Tokyo
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SHIGI Hidetaka
Department of Applied Physics,Faculty of Engineering,University of Tokyo
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Shigi Hidetaka
Department Of Applied Physics Faculty Of Engineering University Of Tokyo
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