论文标题
与六磷酸乙二醇的光化学氢储存（HATN
Photochemical Hydrogen Storage with Hexaazatrinaphthylene (HATN
论文作者
论文摘要
当用紫罗兰光照射时，六脑磷酸（HATN）从形成长生命的氢化物质的酒精中提取氢原子。氘化甲醇中荧光衰减时间的表观动力学同位素效应（1.56）表明分子的最低单重激发态是分子间氢转移的前体。光化学氢化发生在几种醇（甲醇，乙醇，异丙醇）中，但不在水中。可以通过1.78 eV以及EPR和NMR技术的吸收带来光学检测氢化HATN。光药物的质谱显示出二氢HATN结构以及甲氧基和甲基化的HATN分子，这些分子是通过与甲氧基自由基反应产生的（从酒精分裂中的残余物）产生的。实验发现与理论结果一致，该结果预测，对于HATN-溶剂分子复合物的激发态，存在从甲醇中的屏障无氢转移，但对于类似的水氧化而言是一个小的屏障。
When irradiated with violet light, hexaazatrinaphthylene (HATN) extracts a hydrogen atom from an alcohol forming a long-living hydrogenated species. The apparent kinetic isotope effect for fluorescence decay time in deuterated methanol (1.56) indicates that the lowest singlet excited state of the molecule is a precursor for intermolecular hydrogen transfer. The photochemical hydrogenation occurs in several alcohols (methanol, ethanol, isopropanol) but not in water. Hydrogenated HATN can be detected optically by an absorption band at 1.78 eV as well as with EPR and NMR techniques. Mass spectroscopy of photoproducts reveal di-hydrogenated HATN structures along with methoxylated and methylated HATN molecules which are generated through the reaction with methoxy radicals (remnants from alcohol splitting). Experimental findings are consistent with the theoretical results which predicted that for the excited state of the HATN-solvent molecular complex, there exists a barrierless hydrogen transfer from methanol but a small barrier for the similar oxidation of water.
