2021
DOI: 10.1021/acs.jpclett.1c03754
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Isoelectronic IrC3, PtC3, and AuC3+ Clusters Featuring the Structural and Bonding Resemblance to OC3

Abstract: The IrC3 – and PtC3 – anions generated by laser vaporization were identified and characterized by gas-phase photoelectron spectroscopy and quantum-chemical calculations. The straight-chain structures with an MCCC (M = metal; C = carbon) connectivity are found for the isoelectronic IrC3 –, PtC3, and AuC3 + clusters. Further elaborate analyses manifest the strikingly structural and bonding similarities between MC3 –/0/+ clusters and OC3 revealed. This finding has broadened the notion of autogenic isolobality to … Show more

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Cited by 4 publications
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“…The significant covalency of Au–S bonds in [SAuS] − and [HSAuSH] − promotes us to investigate the mix-liganded sulphydryl gold sulfide, [SAuSH] − , which has not been explored in the gas phase yet. The mass-selected photoelectron velocity map imaging (VMI) spectroscopy in conjunction with theoretical calculation is a powerful technique for understanding both the geometries and electronic structures of the clusters in the gas phase. Herein, we present a VMI spectroscopic and theoretical study on AuS 2 H – . The comprehensive comparison between the experiment and theoretical calculations confirms the mix-ligand structure and covalent multiple-bonding pattern for the ground state of AuS 2 H – .…”
Section: Introductionmentioning
confidence: 99%
“…The significant covalency of Au–S bonds in [SAuS] − and [HSAuSH] − promotes us to investigate the mix-liganded sulphydryl gold sulfide, [SAuSH] − , which has not been explored in the gas phase yet. The mass-selected photoelectron velocity map imaging (VMI) spectroscopy in conjunction with theoretical calculation is a powerful technique for understanding both the geometries and electronic structures of the clusters in the gas phase. Herein, we present a VMI spectroscopic and theoretical study on AuS 2 H – . The comprehensive comparison between the experiment and theoretical calculations confirms the mix-ligand structure and covalent multiple-bonding pattern for the ground state of AuS 2 H – .…”
Section: Introductionmentioning
confidence: 99%