| Existence of aromatic sp~2 C-H…O = C intramolecular interaction similar to hydrogen bond |
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| 作者姓名： | Zeper Abliz Hiroshi Moriyama Junji Aoki Toyotoshi Ueda |
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| 作者单位： | Department of Chemistry，Xin Jiang University，Urumchi 830046，China，Department of Chemistry Toho University，Funabashi，Chiba 274，Japan，Department of Chemistry Toho University，Funabashi，Chiba 274，Japan，Department of Chemistry，Meisei University，Hino，Tokyo 191，Japan |
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| 摘 要： | A 'H NMR signal shifted drastically to down field (δ - 10.0) at the bay area and in dose proximity to C = O group for H-1 was observed through complete assignments of 1H NMR spectra for pyridino- and benzobenzanthrones. It is concluded that this phenomenon is due not only to the anisotropy effect of C=O plus aromatic ring current effect, but also to the electrostatic attraction of C-H (δ+)…O(δ-)=C interaction. The evidence for the sp2C-H…O = C intramolecular interaction similar to hydrogen bond has also been given by EI-MS and MS/MS (CID) spectroscopy and IR spectroscopy, as well as MNDO-PM3 calculations. This new kind of interaction might be called 'quasi-hydrogen bond'.
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