Henry Rzepa's Blog Chemistry with a twist

May 10, 2021

What does a double σ-bond along a bond axis look like?

Filed under: Interesting chemistry — Henry Rzepa @ 10:15 am

Introductory chemistry will tell us that a triple bond between say two carbon atoms comprises just one bond of σ-axial symmetry and two of π-symmetry. Increasingly mentioned nowadays is the possibility of a quadruple bond between carbon and either itself or a transition metal, as discussed in the previous post. Such a bond comprises TWO bonds of σ-axial symmetry. Since most people are unfamiliar with such double bonds and in particular with how that second σ-bond sits with the first, I thought it would be interesting to show such an orbital. This one is a localised orbital 41, selected from the previous post for the molecule (PH3)2(CN)2Mo⩸C. (more…)

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