Lecture_13 - MIT OpenCourseWare http://ocw.mit.edu 5.04...

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Unformatted text preview: MIT OpenCourseWare http://ocw.mit.edu 5.04 Principles of Inorganic Chemistry II Fall 2008 For information about citing these materials or our Terms of Use, visit: http://ocw.mit.edu/terms . 5.04, Principles of Inorganic Chemistry II Prof. Daniel G. Nocera Lecture 13: Octahedral ML 6 Complexes The basis set needs to be expanded for metal complexes with ligands containing - orbitals. An appropriate basis for ligands with two orthogonal orbitals, e.g. CO, CN , O 2 , X , to the bond is shown below, The arrow is indicative of the directional phase of the p orbitals. Owing to their ungerade symmetry, in constructing the p representation a p orbital, i.e. arrow, that transforms into itself contributes +1 a p orbital that transforms into minus itself contributes 1 a p orbital that moves, contributes 0 E 8C 3 6C 2 6C 4 3C 2 i 6S 4 8S 6 3 h 6 d O h 6 2 2 4 2 a 1g + t 1u + e g 12 0 0 4 0 0 0 0 t 1g + t 1u + t 2g + t 2u There is a second method to derive the p basis. The Cartesian coordinate systems on each ligand contains the and basis sets. Thus the x,y,z...
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This note was uploaded on 11/27/2011 for the course CHEMICAL E 20.410j taught by Professor Rogerd.kamm during the Spring '03 term at MIT.

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Lecture_13 - MIT OpenCourseWare http://ocw.mit.edu 5.04...

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