Sequential clustering reactions of SiD+3 with SiD4 and SiH+3 with SiH4: Another case of arrested growth of hydrogenated silicon particles
Sequential clustering reactions of SiD+3 with SiD4 and SiH+3 with SiH4: Another case of arrested growth of hydrogenated silicon particles
复制标题
SiD 3 与 SiD4 以及 SiH 3 与 SiH4 的连续簇化反应：氢化硅颗粒生长停滞的另一种情况
DOI：
10.1063/1.458446
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发表时间：
1990
期刊：
影响因子：
--
通讯作者：
K. D. Kolenbrander
中科院分区：
文献类型：
--
作者：
M. L. Mandich;W. Reents;K. D. Kolenbrander
在傅里叶变换质谱仪的离子池中观察到 SiD+3 与 SiD4 以及 SiH+3 与 SiH4 的连续聚类反应。通过添加 SiD2 或 SiH2 并伴随 D2 或 H2 的损失，或者通过双分子加合物的形成和稳定，发生簇化。所有簇化反应的效率都非常低，并且会在包含两到四个硅原子的小硅簇尺寸上导致瓶颈结构。测量反应每一步的加成产物和缔合产物的速率。通过硅-29 同位素交换监测逆反应速率。 Raghavachari 对包括中间体、过渡态和产物在内的反应途径进行了从头算电子结构计算，并在他的姊妹篇论文中进行了介绍。每个反应步骤的总体反应机制相似。首先，在离子和中性之间形成中间络合物，该中间络合物通过桥接氘或氢原子牢固结合......
Sequential clustering reactions of SiD+3 with SiD4 and SiH+3 with SiH4 are observed in the ion cell of a Fourier transform mass spectrometer. Clustering occurs either by addition of SiD2 or SiH2 accompanied by loss of D2 or H2, or by the formation and stabilization of the bimolecular adducts. All of the clustering reactions are highly inefficient and lead to bottleneck structures at small silicon cluster sizes containing two to four silicon atoms. Rates are measured for both the addition and association products for each step of the reaction. Back reaction rates are monitored via silicon‐29 isotope exchange. Ab initio electronic structure calculations of the reaction pathways including intermediates, transition states and products have been performed by Raghavachari and are presented in his companion paper. The overall reaction mechanisms are similar for each reaction step. First an intermediate complex is formed between the ion and neutral which is strongly bound by a bridging deuterium or hydrogen atom....