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Chemistry · Glossary

What is π charges and bond indices?

Also known as: pi charge · pi bond index

Definition 16.6 University Chemistry — Year 2 · Chapter 16 — Hückel Theory and Conjugated Systems

With nkn_k electrons in orbital kk (0, 1 or 2) and real coefficients crkc_{rk}, the π\pi charge on atom rr is qr=∑knkcrk2q_r = \sum_k n_kc_{rk}^2 (the number of π\pi electrons it carries), and the π\pi bond index of the bond rsrs is prs=∑knkcrkcskp_{rs} = \sum_k n_kc_{rk}c_{sk}.

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