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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 11: Frontier MOs of -Donor, -Donor and -Acceptor Ligands Before tackling the business of the complex, the nature of the ligand frontier orbitals must be considered. There are three general classes of ligands, as defined by their frontier orbitals: -donor ligands, -donor ligands and -acceptor ligands. -donor ligands These ligands donate two e s from an orbital of -symmetry: H (1s 2 ), NH 3 (2a 1 l p), PR 3 (2a 1 l p), CH 3 (2a 1 l p), OH 2 (b 1 l p) Note, some of these ligands are atomic, while others are LCAO-MOs. The frontier orbitals for bonding to the metal are thus are either atomic or molecular orbitals, depending on the nature of the ligand. As an example of a molecular ligand, consider the ammonia ligand. Ammonia is formed from the LCAO between the valence orbitals of a central nitrogen and the three 1s orbitals of three hydrogens, 3 H(1s) + N (2s, 2p x , 2p y , 2p z ) NH 3 + N To begin this problem, the symmetry-adapted linear combinations of the three 1s orbitals must be determined. Hence, the basis will be derived from the H orbitals. Because the H(1s) orbitals can only form bonds, the choice of 3 NH bonds is an appropriate basis set, 5.04, Principles of Inorganic Chemistry II Lecture 11 Prof. Daniel G. Nocera Page 1 of 8 The transformation properties of the bonds (in C 3v symmetry) are as follows: 1 1 1 2 1 1 1 1 1 C E 3 v These representation of this basis may be quickly ascertained by realizing that only...
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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_11 - MIT OpenCourseWare http://ocw.mit.edu 5.04...

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