Experimental Confirmation of a Topological Isomer of the Ubiquitous Au25(SR)18 Cluster in the Gas Phase | Zendy

Elina Kalenius | Zendy; Sami Malola | Zendy; María Francisca Matus | Zendy; Rania Kazan | Zendy; Thomas Bürgi | Zendy; Hannu Häkkinen | Zendy

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Experimental Confirmation of a Topological Isomer of the Ubiquitous Au₂₅(SR)₁₈ Cluster in the Gas Phase

Author(s) -

Elina Kalenius,

Sami Malola,

María Francisca Matus,

Rania Kazan,

Thomas Bürgi,

Hannu Häkkinen

Publication year - 2021

Publication title -

journal of the american chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 7.115

H-Index - 612

eISSN - 1520-5126

pISSN - 0002-7863

DOI - 10.1021/jacs.0c11509

Subject(s) - chemistry , isomerization , cluster (spacecraft) , gold cluster , electrospray ionization , mass spectrometry , gas phase , ion , cationic polymerization , phase (matter) , crystallography , chemical physics , computational chemistry , electronic structure , catalysis , biochemistry , organic chemistry , chromatography , computer science , programming language

High-resolution electrospray ionization ion mobility mass spectrometry has revealed a gas-phase isomer of the ubiquitous, extremely well-studied Au 25 (SR) 18 cluster both in anionic and cationic form. The relative abundance of the isomeric structures can be controlled by in-source activation. The measured collision cross section of the new isomer agrees extremely well with a recent theoretical prediction ( Matus M. F. ; et al. Chem. Commun. 2020 , 56 , 8087 ) corresponding to a Au 25 (SR) 18 – isomer that is energetically close and topologically connected to the known ground-state structure via a simple rotation of the gold core without breaking any Au–S bonds. The results imply that the structural dynamics leading to isomerization of thiolate-protected gold clusters may play an important role in their gas-phase reactions and that isomerization could be controlled by external stimuli.

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