為碳序法之化學結構產生法尋求資料豐富的核磁共振光譜

Searching for More Information from 2D NMR Spectra Required for ID Number Method

陳勝智(Sheng-Chih Chen) ； 連金城(Jin-Cherng Lien)

《化學》 62卷2期 (2004/06) Pp. 309-314

https://doi.org/10.6623/chem.2004023

摘要

本文探討COSY、HMBC、TOCSY 及HMQC-TOCSY 等二維核磁共振光譜提供碳碳連結資料的差異，嘗試尋求更多連結資料提供碳序法進行碳碳連結產生化學結構。本研究顯示除COSY 所能提供的α位連結外，TOCSY 還提供β位碳碳連結資料，而HMQC-TOCSY 所提供的資料則比HMBC 及TOCSY 均少，且已被HMBC 及TOCSY 所涵蓋。另一方面，溶劑確實影響光譜資料的多寡，改換溶劑有獲取更多連結資料的機會。

關鍵字

化學結構產生 ； 碳序法 ； 二維核磁共振光譜

並列摘要

The present paper describes the comparison of ^(13)C-^(13)C connectivity data of COSY, HMBC, TOCSY and HMQC-TOCSY NMR spectra for structure generation by ID number method. The results demonstrated that, in addition to α-connectivity, TOCSY could provide β-connectivities for ID number method while the connectivities derived from HMQC-TOCSY was less than that of HMBC or TOCSY. Hence, it is suggested that for ID number method, COSY and HMBC are essentially required for the method and we may complementarily determined TOCSY for increasing connectivity data. The comparison for different magnetic field showed that there was no remarkable difference in connectivity. The solvent effect on the 2 D NMR spectra determined was significant, suggesting that solvent selection for spectra determination is very critical.

並列關鍵字

structure generation ； ID number method ； 2D NMR spectra