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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Photoionization Efficiency Curve Measurements of Alkali Metal Atom-Methyl Propiolate Clusters:Observation of Intracluster Cyclotrimerization Products
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Photoionization Efficiency Curve Measurements of Alkali Metal Atom-Methyl Propiolate Clusters:Observation of Intracluster Cyclotrimerization Products

机译：碱金属原子丙酸甲酯簇的光电离效率曲线测量：簇内环三聚产物的观察

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摘要

Reaction products in clusters containing an alkali metal atom (M=Na,K,and Cs) and methyl propiolate (MP) molecules have been examined from results of photoionization efficiency (PIE) curve measurements.Two distinct humps were commonly observed in the PIE curves of Cs(MP)_n for n>=3,whereas a relatively smooth curve was obtained for n=2.In the photoionization mass spectra of M(MP)_n an intensity anomaly at n=3 was commonly observed as reported in the previous paper,which was due to a Cyclotrimerization reaction producing a benzene derivative (trimethyl benzenetricarboxylate,BT).From the results of quantum chemical calculations for reacted and unreacted isomers,these two humps originate from two isomers with different ionization thresholds;the lower threshold is ascribed to a solvation-type isomer,Cs(MP)_3,and the higher value comes from a reacted isomer composed of a cesium atom and a BT molecule.From the relative intensity of two isomers,the intracluster Cyclotrimerization reaction producing BT is found to proceed efficiently in the present M-MP clusters.
机译：从光电离效率（PIE）曲线测量结果中检查了包含碱金属原子（M = Na，K和Cs）和丙酸甲酯（MP）分子的簇中的反应产物.PIE曲线中通常观察到两个不同的峰n> = 3时Cs（MP）_n的变化曲线，而n = 2时获得相对平滑的曲线。本文是由于环三聚反应生成苯衍生物（三甲基三羧酸三苯酯，BT）而引起的。从反应和未反应异构体的量子化学计算结果来看，这两个峰源自两个具有不同电离阈值的异构体;较低的阈值被赋予形成溶剂化型异构体Cs（MP）_3，较高的值是由铯原子和BT分子组成的反应异构体。从这两种异构体的相对强度来看，簇内环三聚反应过程人们发现，在当前的M-MP集群中，生成BT可以有效地进行。

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