Chemical Physics Letters ( IF 2.8 ) Pub Date : 2018-07-18 , DOI: 10.1016/j.cplett.2018.07.041 Kentaro Kamata , Nobuyuki Akai , Munetaka Nakata
Photoreaction of molecular complex composed of ozone and dimethylamine is investigated by matrix-isolation IR and UV-visible spectroscopies. The UV-visible spectrum of the molecular complex isolated in an Ar matrix shows two broad bands in the region between 400 and 700 nm. Upon red-light irradiation (λ ≥ 680 nm), dimethylamine-N-oxide is produced by intermolecular oxygen-atom transfer from O3 to the lone pair on the nitrogen atom of dimethylamine. Dimethylamine-N-oxide isomerizes to N,N-dimethylhydroxylamine by intramolecular hydrogen-atom migration upon the second light irradiation (λ ≥ 385 nm). The both photoproducts are identified by the DFT calculation at the B3LYP/6-31++G(d,p) level.
中文翻译:
红光诱导的臭氧-二甲胺络合物的光反应;二甲胺-N-氧化物和N,N-二甲基羟胺的基质分离红外光谱
红外光谱和紫外可见光谱法研究了由臭氧和二甲胺组成的分子配合物的光反应。在Ar矩阵中分离出的分子复合物的UV-可见光谱在400至700 nm之间的区域中显示出两个宽带。当红光照射(λ ≥680纳米),dimethylamine- Ñ氧化物由选自O分子间氧原子转移产生3到孤对二甲胺的氮原子。二甲胺-N-氧化物在第二次光照射下通过分子内氢原子迁移异构化为N,N-二甲基羟胺≥385 nm)。两种光产物均通过DFT计算在B3LYP / 6-31 ++ G(d,p)水平进行鉴定。