光化学
化学
甲醇
氘
分子
氢
分子间力
溶剂
氢原子
激发态
光谱学
动力学同位素效应
酒
吸收光谱法
激进的
单重态
有机化学
物理
核物理学
量子力学
烷基
作者
O. Morawski,Pawel Gawrys,Jarosław Sadło,Andrzej L. Sobolewski
标识
DOI:10.1002/cphc.202200077
摘要
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.
科研通智能强力驱动
Strongly Powered by AbleSci AI