skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Probing the electronic and vibrational structure of Au{sub 2}Al{sub 2}{sup −} and Au{sub 2}Al{sub 2} using photoelectron spectroscopy and high resolution photoelectron imaging

Abstract

The electronic and vibrational structures of Au{sub 2}Al{sub 2}{sup −} and Au{sub 2}Al{sub 2} have been investigated using photoelectron spectroscopy (PES), high-resolution photoelectron imaging, and theoretical calculations. Photoelectron spectra taken at high photon energies with a magnetic-bottle apparatus reveal numerous detachment transitions and a large energy gap for the neutral Au{sub 2}Al{sub 2}. Vibrationally resolved PE spectra are obtained using high-resolution photoelectron imaging for the ground state detachment transition of Au{sub 2}Al{sub 2}{sup −} at various photon energies (670.55−843.03 nm). An accurate electron affinity of 1.4438(8) eV is obtained for the Au{sub 2}Al{sub 2} neutral cluster, as well as two vibrational frequencies at 57 ± 8 and 305 ± 13 cm{sup −1}. Hot bands transitions yield two vibrational frequencies for Au{sub 2}Al{sub 2}{sup −} at 57 ± 10 and 144 ± 12 cm{sup −1}. The obtained vibrational and electronic structure information is compared with density functional calculations, unequivocally confirming that both Au{sub 2}Al{sub 2}{sup −} and Au{sub 2}Al{sub 2} possess C{sub 2v} tetrahedral structures.

Authors:
; ; ; ; ;  [1]
  1. Department of Chemistry, Brown University, Providence, Rhode Island 02912 (United States)
Publication Date:
OSTI Identifier:
22413301
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 141; Journal Issue: 22; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; AFFINITY; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; ENERGY GAP; EV RANGE; GROUND STATES; PHOTOELECTRON SPECTROSCOPY; PHOTONS; PROBES; SPECTRA

Citation Formats

Lopez, Gary V., Czekner, Joseph, Jian, Tian, Li, Wei-Li, Yang, Zheng, and Wang, Lai-Sheng, E-mail: Lai-Sheng-Wang@brown.edu. Probing the electronic and vibrational structure of Au{sub 2}Al{sub 2}{sup −} and Au{sub 2}Al{sub 2} using photoelectron spectroscopy and high resolution photoelectron imaging. United States: N. p., 2014. Web. doi:10.1063/1.4903784.
Lopez, Gary V., Czekner, Joseph, Jian, Tian, Li, Wei-Li, Yang, Zheng, & Wang, Lai-Sheng, E-mail: Lai-Sheng-Wang@brown.edu. Probing the electronic and vibrational structure of Au{sub 2}Al{sub 2}{sup −} and Au{sub 2}Al{sub 2} using photoelectron spectroscopy and high resolution photoelectron imaging. United States. doi:10.1063/1.4903784.
Lopez, Gary V., Czekner, Joseph, Jian, Tian, Li, Wei-Li, Yang, Zheng, and Wang, Lai-Sheng, E-mail: Lai-Sheng-Wang@brown.edu. Sun . "Probing the electronic and vibrational structure of Au{sub 2}Al{sub 2}{sup −} and Au{sub 2}Al{sub 2} using photoelectron spectroscopy and high resolution photoelectron imaging". United States. doi:10.1063/1.4903784.
@article{osti_22413301,
title = {Probing the electronic and vibrational structure of Au{sub 2}Al{sub 2}{sup −} and Au{sub 2}Al{sub 2} using photoelectron spectroscopy and high resolution photoelectron imaging},
author = {Lopez, Gary V. and Czekner, Joseph and Jian, Tian and Li, Wei-Li and Yang, Zheng and Wang, Lai-Sheng, E-mail: Lai-Sheng-Wang@brown.edu},
abstractNote = {The electronic and vibrational structures of Au{sub 2}Al{sub 2}{sup −} and Au{sub 2}Al{sub 2} have been investigated using photoelectron spectroscopy (PES), high-resolution photoelectron imaging, and theoretical calculations. Photoelectron spectra taken at high photon energies with a magnetic-bottle apparatus reveal numerous detachment transitions and a large energy gap for the neutral Au{sub 2}Al{sub 2}. Vibrationally resolved PE spectra are obtained using high-resolution photoelectron imaging for the ground state detachment transition of Au{sub 2}Al{sub 2}{sup −} at various photon energies (670.55−843.03 nm). An accurate electron affinity of 1.4438(8) eV is obtained for the Au{sub 2}Al{sub 2} neutral cluster, as well as two vibrational frequencies at 57 ± 8 and 305 ± 13 cm{sup −1}. Hot bands transitions yield two vibrational frequencies for Au{sub 2}Al{sub 2}{sup −} at 57 ± 10 and 144 ± 12 cm{sup −1}. The obtained vibrational and electronic structure information is compared with density functional calculations, unequivocally confirming that both Au{sub 2}Al{sub 2}{sup −} and Au{sub 2}Al{sub 2} possess C{sub 2v} tetrahedral structures.},
doi = {10.1063/1.4903784},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 22,
volume = 141,
place = {United States},
year = {2014},
month = {12}
}