Unexpected structures of the Au17 gold cluster: the stars are shining

Nhat, Pham Vu; Si, Nguyen Thanh; Kiselev, Vitaly G.; Fielicke, André; Pham, Hung Tan; Nguyen, Minh Tho

doi:10.1039/d2cc00891b

アイテム詳細

登録内容を編集ファイル形式で保存

一時保存へ追加

タグ情報を表示リリース履歴を表示詳細要約

公開

学術論文

Unexpected structures of the Au₁₇ gold cluster: the stars are shining

MPS-Authors

/persons/resource/persons21506

Fielicke, André
Molecular Physics, Fritz Haber Institute, Max Planck Society;

External Resource

There are no locators available

Fulltext (restricted access)

There are currently no full texts shared for your IP range.

フルテキスト (公開)

author_version.pdf
(全文テキスト（全般）), 2MB

付随資料 (公開)

There is no public supplementary material available

引用

Nhat, P. V., Si, N. T., Kiselev, V. G., Fielicke, A., Pham, H. T., & Nguyen, M. T. (2022). Unexpected structures of the Au₁₇ gold cluster: the stars are shining. Chemical Communications, 58(38), 5785-5788. doi:10.1039/d2cc00891b.

引用: https://hdl.handle.net/21.11116/0000-000A-65FE-7

要旨

The Au₁₇ gold cluster was experimentally produced in the gas phase and characterized by its vibrational spectrum recorded using far-IR multiple photon dissociation (FIR-MPD) of Au₁₇Kr. DFT and coupled-cluster theory PNO-LCCSD(T)-F12 computations reveal that, at odds with most previous reports, Au₁₇ prefers two star-like forms derived from a pentaprism added by two extra Au atoms on both top and bottom surfaces of the pentaprism, along with five other Au atoms each attached on a lateral face. A good agreement between calculated and FIR-MPD spectra indicates a predominant presence of these star-like isomers. Stabilization of a star form arises from strong orbital interactions of an Au₁₂ core with a five-Au-atom string.