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Fundamentals of Molecular Orbital Theory

In the opening chapter of this part of the book we review the fundamental concepts which underpin the construction of molecular orbital (MO) diagrams, which form the basis of our understanding of both molecular structure and reactivity and are an essential part of modern chemistry. The ideas presented, using the simple molecules H2 and H3, will form the basis on which we use group theory to guide us in developing descriptions of more complex bonding patterns. The power of group theory will be evident as we move from the interaction of the two or three atomic orbitals (AOs) of H2, H3 in this chapter to combinations of 19 AOs available for bonding in ferrocene, (C5H5)2Fe in Chapter 10, with which we shall ...

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