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翻訳と辞書　辞書検索 [ 開発暫定版 ] スポンサード リンク Ligand K-edge ： ウィキペディア英語版 Ligand K-edge Ligand K-edge spectroscopy is a spectroscopic technique used to study the electronic structures of metal-ligand complexes. This method measures X-ray absorption caused by the excitation of ligand 1s electrons to unfilled p orbitals (principal quantum number n <= 4) and continuum states, which creates a characteristic absorption feature called the K-edge. == Pre-edges == Transitions at energies lower than the edge can occur, provided they lead to orbitals with some ligand p character; these features are called pre-edges. Pre-edge intensities (D0) are related to the amount of ligand (L) character in the unfilled orbital: $D\_0(L\; \backslash \; 1s\; \backslash rightarrow\; \backslash psi^$ *) = const \ \vert \langle L \ 1s \vert \mathbf \vert \psi^ * \rangle \vert^2 = \alpha^2 \ const \ \vert \langle L \ 1s \vert \mathbf \vert L \ np \rangle \vert^2 where $\backslash psi^$ * is the wavefunction of the unfilled orbital, r is the transition dipole operator, and $\backslash alpha^2$ is the "covalency" or ligand character in the orbital. Since $\backslash psi^$ * = \sqrt \vert M_d \rangle - \alpha \vert L_ \rangle , the above expression relating intensity and quantum transition operators can be simplified to use experimental values: $D\_0\; =\; \backslash fracI\_s$ where n is the number of absorbing ligand atoms, h is the number of holes, and Is is the transition dipole integral which can be determined experimentally. Therefore, by measuring the intensity of pre-edges, it is possible to experimentally determine the amount of ligand character in a molecular orbital. 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「Ligand K-edge」の詳細全文を読む スポンサード リンク 翻訳と辞書 : 翻訳のためのインターネットリソース Copyright(C) kotoba.ne.jp 1997-2016. All Rights Reserved.