首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Experimental and Theoretical Studies of(CsI)_nCs~+Cluster Ions Produced by 355 nm Laser Desorption Ionization
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Experimental and Theoretical Studies of(CsI)_nCs~+Cluster Ions Produced by 355 nm Laser Desorption Ionization

机译:355 nm激光解吸电离产生(CsI)_nCs〜+簇离子的实验和理论研究

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摘要

Collision cross-sections of gas-phase(CsI)_n=_(1-7)Cs~+cluster ions formed by pulsed-UV laser(355 nm)desorption ionization are measured by ion mobility-mass spectrometry.Experimental collision cross-sections are compared with calculated cross sections of candidate structures generated from a search for the lowest energy structures at the DFT/B3LYP/LACV3P** and MP2/LACVP3P** levels.The relative stabilities of these candidate structures are examined by 1M-CID-MS,and the experimental results are compared to theoretical predictions.Analysis of(CsI)_n=_(1-7)Cs~+cluster ion dissociation energies shows that the lower fragmentation thresholds are observed for cluster ions with the lower predicted stability.
机译:采用离子迁移质谱法测量了脉冲紫外激光(355 nm)解吸电离形成的气相(CsI)_n = _(1-7)Cs〜+簇离子的碰撞截面。将其与通过计算DFT / B3LYP / LACV3P **和MP2 / LACVP3P **最低能量结构而生成的候选结构的计算横截面进行比较。通过1M-CID-MS检查这些候选结构的相对稳定性(CsI)_n = _(1-7)Cs〜+簇离子离解能的分析结果表明,簇离子的碎裂阈值较低,而预测的稳定性较低。

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