Problem

The maximum bond order for a diatomic chemical species has been calculated to be six, fo...

The maximum bond order for a diatomic chemical species has been calculated to be six, for example in Cr2. What types of orbital interactions would be possible in this molecule? Calculate and display the molecular orbitals for Cr2, and classify them as and as bonding or antibonding. Identify the atomic orbitals used in each molecular orbital. Are your results consistent with a bond order of six? (See G. Frenking, R. Tonner, Nature, 2007, 446, 276 and references cited therein.)

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Solutions For Problems in Chapter 15