The interactions between cyanoacrylate type of glue and model compounds for dinitrotoluene (DNT) and trinitrotoluene (TNT) are investigated using mainly spectroscopic techniques. Electrostatic fields emanating from dispersion and dipole interactions are thought to dominate the energy of interaction without any evidence for hydrogen bonding between the glue and any of the substrates. Vibronic spectral data strongly suggests polarization of the vibrational manifolds of the substrates. Careful analysis of nuclear magnetic resonance (nmr) spectral data reveals a good correlation between the nmr chemical shifts and the measured infrared shifts in the glue matrix. This profound observation may have implications for theoretical calculations of nmr chemical shifts.

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关于胶水与DNT相互作用中分子结合力建模的评论

主要使用光谱技术研究了氰基丙烯酸酯类胶与二硝基甲苯（DNT）和三硝基甲苯（TNT）的模型化合物之间的相互作用。人们认为，由色散和偶极相互作用产生的静电场控制了相互作用的能量，而没有任何证据表明胶与任何基材之间存在氢键。振动光谱数据强烈暗示了基板的振动歧管的极化。对核磁共振（nmr）光谱数据的仔细分析显示，核磁共振化学位移与胶基质中测得的红外位移之间具有良好的相关性。这种深刻的发现可能对核磁共振化学位移的理论计算有影响。