How different are electron-rich and electron-deficient π interactions?
Journal of Chemical Theory and Computation, ISSN: 1549-9618, Vol: 6, Issue: 7, Page: 1931-1934
2010
- 61Citations
- 57Captures
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Metrics Details
- Citations61
- Citation Indexes61
- 61
- CrossRef53
- Captures57
- Readers57
- 57
Article Description
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 electrondeficient 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. © 2010 American Chemical Society.
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