Efficient Identification of Different Types of Carbons in Organic Solids by 2D Solid-State NMR Spectroscopy

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• 作者：Rongchun Zhang ; Xin He ; Weigui Fu ; Tiehong Chen ; Pingchuan Sun ; Baohui Li ; Datong Ding
• 刊名：Journal of Physical Chemistry A
• 出版年：2011
• 出版时间：October 27, 2011
• 年：2011
• 卷：115
• 期：42
• 页码：11665-11670
• 全文大小：848K
• 年卷期：v.115,no.42(October 27, 2011)
• ISSN：1520-5215

文摘

An efficient method for identifying different types of carbon groups (CH₃, CH₂, CH, and quaternary carbons) in organic solids is proposed by utilizing the combination of a two-dimensional (2D) ¹³C鈥?sup>1H polarization inversion spin exchange at magic angle (PISEMA) NMR experiment and numerical simulation results of simple isolated ¹³C鈥?sup>1H dipolar coupling models. Our results reveal that there is a unique line shape of the ¹³C鈥?sup>1H dipolar splitting pattern and a corresponding characteristic splitting value for each carbon group, based on which different carbon types can be distinguished unambiguously. In particular, by using this method, the discrimination and assignment of overlapped signals from different types of carbons can be achieved easily. The efficacy of this method is demonstrated on typical solid small molecules, polymers, and biomacromolecules.