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How Different are Electron-Rich and Electron-Deficient π Interactions?

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journal contribution
posted on 13.07.2010, 00:00 by Inacrist Geronimo, Eun Cheol Lee, N. Jiten Singh, Kwang S. Kim
The intermolecular interaction driven structural change is vital to molecular architecturing. In the Cambridge Structural Database (CSD), we find that the preference for geometrical conformations of electron-deficient π systems is different from those of electron-rich π systems. Indeed, ab initio calculations find that electron-deficient π ring systems should involve different structures and energetics, consistent with the CSD search, due to the electric multipole moments and the decrease in the spatial extent of π-electron density.