دورية أكاديمية
Aromatic pi-pi interaction mediated by a metal atom: structure and ionization of the bis(eta(6)-benzene)chromium-benzene cluster
| العنوان: | 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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| المؤلفون: | Han, S Han, Songhee, Singh, NJ Singh, N. Jiten, Kang, TY Kang, Tae Yeon, Choi, KW Choi, Kyo-Won, Choi, S Choi, Sunyoung, Baek, SJ Baek, Sun Jong, Kim, KS Kim, Kwang S., Kim, SK Kim, Sangkyu |
| بيانات النشر: | ROYAL SOC CHEMISTRY |
| سنة النشر: | 2010 |
| المجموعة: | Korea Advanced Institute of Science and Technology: KOASAS - KAIST Open Access Self-Archiving System |
| الوصف: | 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. ; 화학과 |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| DOI: | 10.1039/b923929d |
| الإتاحة: | https://doi.org/10.1039/b923929dTest http://hdl.handle.net/10203/98501Test http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=000279514500038&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=395d0a69a77a4892902e43d8987013d5Test |
| رقم الانضمام: | edsbas.FF3E59B4 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1039/b923929d |
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