Complexes of gold and imidazole formed in helium nanodroplets,Physical Chemistry Chemical Physics

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Complexes of gold and imidazole formed in helium nanodroplets
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2018-02-27 00:00:00 , DOI: 10.1039/c8cp00486b
Michael Gatchell _{1,

2,

3,

4,

5} , Marcelo Goulart _{1,

2,

3,

4} , Lorenz Kranabetter _{1,

2,

3,

4} , Martin Kuhn _{1,

2,

3,

4} , Paul Martini _{1,

2,

3,

4} , Bilal Rasul _{1,

2,

3,

4,

5} , Paul Scheier _{1,

2,

3,

4}

Affiliation

We have studied complexes of gold atoms and imidazole (C₃N₂H₄, abbreviated Im) produced in helium nanodroplets. Following the ionization of the doped droplets we detect a broad range of different Au_mIm_n⁺ complexes, however we find that for specific values of m certain n are “magic” and thus particularly abundant. Our density functional theory calculations indicate that these abundant clusters sizes are partially the result of particularly stable complexes, e.g. AuIm₂⁺, and partially due to a transition in fragmentation patterns from the loss of neutral imidazole molecules for large systems to the loss of neutral gold atoms for smaller systems.

中文翻译：

氦纳米液滴中形成的金和咪唑的络合物

我们研究了在氦纳米液滴中产生的金原子与咪唑（C ₃ N ₂ H ₄，缩写为Im）的配合物。在掺杂液滴的电离之后，我们检测到很多种不同的Au _m Im _n⁺络合物，但是我们发现，对于m的特定值，某些n是“魔术”的，因此特别丰富。我们的密度泛函理论计算表明，这些大量簇的大小部分是由特别稳定的复合物（例如AuIm ₂⁺，部分是由于碎片模式的转变，从大型系统中性咪唑分子的损失到小型系统中性金原子的损失。

更新日期：2018-02-27

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