How Different are Electron-Rich and Electron-Deficient pi Interactions?
SCIE
SCOPUS
- Title
- How Different are Electron-Rich and Electron-Deficient pi Interactions?
- Authors
- Geronimo, I; Lee, EC; Singh, NJ; Kim, KS
- Date Issued
- 2010-07
- Publisher
- AMER CHEMICAL SOC
- Abstract
- 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 pi systems is different from those of electron-rich pi systems. Indeed, ab initio calculations find that electron-deficient pi 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 pi-electron density.
- Keywords
- FACE AROMATIC INTERACTIONS; POTENTIAL-ENERGY SURFACE; BENZENE DIMER; MOLECULAR RECOGNITION; COMPLEXES; SYSTEMS; PYRIDINE; NANOTUBES; STACKING; CLUSTERS
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/25745
- DOI
- 10.1021/CT100182U
- ISSN
- 1549-9618
- Article Type
- Article
- Citation
- JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 6, no. 7, page. 1931 - 1934, 2010-07
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