Nelson Donna J, Kumar Ravi
Department of Chemistry and Biochemistry, University of Oklahoma, Norman, Oklahoma 73019 United States.
J Phys Chem C Nanomater Interfaces. 2013 Jul 18;117(28):14812-14823. doi: 10.1021/jp402307k.
Unambiguous evidence for covalent sidewall functionalization of single-walled carbon nanotubes (SWCNTs) has been a difficult task, especially for nanomaterials in which slight differences in functionality structure produce significant changes in molecular characteristics. Nuclear magnetic resonance (NMR) spectroscopy provides clear information about the structural skeleton of molecules attached to SWCNTs. In order to establish the generality of proton NMR as an analytical technique for characterizing covalently functionalized SWCNTs, we have obtained and analyzed proton NMR data of SWCNT-substituted benzenes across a variety of para substituents. Trends obtained for differences in proton NMR chemical shifts and the impact of -, -, and -directing effects of electrophilic aromatic substituents on phenyl groups covalently bonded to SWCNTs are discussed.
单壁碳纳米管（SWCNT）共价侧壁功能化的确凿证据一直是一项艰巨的任务，特别是对于那些功能结构上的微小差异会导致分子特性发生显著变化的纳米材料而言。核磁共振（NMR）光谱提供了有关附着在SWCNT上分子结构骨架的清晰信息。为了确立质子NMR作为表征共价功能化SWCNT的分析技术的通用性，我们获取并分析了一系列对位取代基的SWCNT取代苯的质子NMR数据。讨论了质子NMR化学位移差异的趋势，以及亲电芳香取代基对共价键合到SWCNT上的苯基的邻位、间位和对位定向效应的影响。
