Photoelectron spectroscopy and ab initio calculations of small Si{sub n}S{sub m}{sup −} (n = 1,2; m = 1–4) clusters

Journal Article · Sun Sep 28 00:00:00 EDT 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4896384· OSTI ID:22308234

Xu, Xi-Ling; Deng, Xiao-Jiao; Xu, Hong-Guang; Zheng, Wei-Jun ^[1]

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1. Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)

Binary cluster anions composed of silicon and sulfur elements, Si{sub n}S{sub m}{sup −} (n = 1,2; m = 1-4), were investigated by using photoelectron spectroscopy and ab initio calculations. The vertical detachment energies and the adiabatic detachment energies of these clusters were obtained from their photoelectron spectra. The electron affinity of SiS molecule is determined to be 0.477 ± 0.040 eV. The results show that the most stable structures of the anionic and neutral Si{sub n}S{sub m} (n = 1,2; m = 1-4) clusters prefer to adopt planar configurations except that the structures of Si{sub 2}S{sub 4}{sup −} and Si{sub 2}S{sub 2} are slightly bent.

• OSTI ID: 22308234
• Journal Information: Journal of Chemical Physics, Vol. 141, Issue 12; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
AFFINITY
ANIONS
MOLECULES
PHOTOELECTRON SPECTROSCOPY
SILICON
SULFUR