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【求助】请教高人Second-Order Jahn-Teller Effect是什么作用啊
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请教高人Second-Order Jahn-Teller Effect是什么作用啊，和Jahn-Teller Effect什么关系啊 [ Last edited by zdhlover on 2009-11-13 at 15:58 ] |
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For nonlinear molecular entities in a geometry described by a symmetry point group possessing degenerate irreducible representations there always exists at least one nontotally symmetric vibration that makes the electronic states with orbital degeneracy unstable at this geometry The nuclei are displaced to new equilibrium positions of lower symmetry causing a splitting of the originally degenerate electronic states (first-order Jahn-Teller effect). In the case of molecules with a nondegenerate ground electron state, but with a very low lying excited state, distortions of proper symmetry arise which mix ground and excited states, and thereby lower the ground state energy ( pseudo Jahn-Teller or second-order Jahn-Teller effect). |
2楼2009-09-30 22:57:21