Aromatic pi-pi interaction mediated by a metal atom: structure and ionization of the bis(eta(6)-benzene)chromium-benzene cluster
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- Title
- Aromatic pi-pi interaction mediated by a metal atom: structure and ionization of the bis(eta(6)-benzene)chromium-benzene cluster
- Authors
- Han, S; Singh, NJ; Kang, TY; Choi, KW; Choi, S; Baek, SJ; Kim, KS; Kim, SK
- Date Issued
- 2010-01
- Publisher
- ROYAL SOC CHEMISTRY
- Abstract
- Aromatic pi-pi interaction in the presence of a metal atom has been investigated experimentally and theoretically with the model system of bis(eta(6)-benzene)chromium-benzene cluster (Cr(Bz)(2)-Bz) in which a free solvating benzene is non-covalently attached to the benzene moiety of Cr(Bz)(2). One-photon mass-analyzed threshold ionization (MATI) spectroscopy and first principles calculations are employed to identify the structure of Cr(Bz)(2)-Bz which adopts the parallel-displaced configuration. The decrease in ionization potential for Cr(Bz)(2)-Bz compared with Cr(Bz)(2), resulting from the increase of the cation-pi stabilization energy upon ionization, is consistent with the parallel-displaced structure of the cluster. Theoretical calculations give the detailed cluster structures with associated energetics, thus revealing the nature of pi-pi-metal or pi-pi-cation interactions at the molecular level.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/11897
- DOI
- 10.1039/B923929D
- ISSN
- 1463-9076
- Article Type
- Article
- Citation
- PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 12, no. 27, page. 7648 - 7653, 2010-01
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