Exceptionally complex electronic structures of lanthanide oxides and small molecules
JL Mason, H Harb, JE Topolski… - Accounts of Chemical …, 2019 - ACS Publications
Conspectus Lanthanide (Ln) oxide clusters and molecular systems provide a bottom-up look
at the electronic structures of the bulk materials because of close parallels in the patterns of …
at the electronic structures of the bulk materials because of close parallels in the patterns of …
[HTML][HTML] Bonding properties of molecular cerium oxides tuned by the 4f-block from ab initio perspective
Probing chemical bonding in molecules containing lanthanide elements is of theoretical
interest, yet it is computationally challenging because of the large valence space, relativistic …
interest, yet it is computationally challenging because of the large valence space, relativistic …
Electronic Structure of Heteronuclear Cerium-Platinum Clusters
JL Mason, CD Huizenga, M Ray… - The Journal of …, 2023 - ACS Publications
Beyond the now well-known strong catalyst-support interactions reported for ceria-supported
platinum catalysts, intermetallic Ce-Pt compounds exhibit fascinating properties such as …
platinum catalysts, intermetallic Ce-Pt compounds exhibit fascinating properties such as …
[HTML][HTML] Molecular and electronic structures of cerium and cerium suboxide clusters
The anion photoelectron (PE) spectra of Ce 2 O y−(y= 1, 2), Ce 3 O y−(y= 0–4), Ce 4 O y−(y=
0–2), and Ce 5 O y−(y= 1, 2) are reported and analyzed with supporting results from density …
0–2), and Ce 5 O y−(y= 1, 2) are reported and analyzed with supporting results from density …
Threshold ionization spectroscopy and theoretical calculations of LnO (Ln= La and Ce)
Mass-analyzed threshold ionization (MATI) spectroscopy was used to measure the vibronic
spectra of LnO (Ln= La and Ce). Single-reference coupled cluster and relativistic …
spectra of LnO (Ln= La and Ce). Single-reference coupled cluster and relativistic …
Electronic and Molecular Structures of the CeB6 Monomer
JL Mason, H Harb, CD Huizenga… - The Journal of …, 2019 - ACS Publications
The electronic and molecular structure of the CeB6 molecular unit has been probed by
anion PE spectroscopy and DFT calculations to gain insight into structural and electronic …
anion PE spectroscopy and DFT calculations to gain insight into structural and electronic …
More than little fragments of matter: Electronic and molecular structures of clusters
JL Mason, CN Folluo, CC Jarrold - The Journal of Chemical Physics, 2021 - pubs.aip.org
Small clusters have captured the imaginations of experimentalists and theorists alike for
decades. In addition to providing insight into the evolution of properties between the atomic …
decades. In addition to providing insight into the evolution of properties between the atomic …
New Photoelectron–Valence Electron Interactions Evident in the Photoelectron Spectrum of Gd2O–
JL Mason, H Harb, A Abou Taka… - The Journal of …, 2021 - ACS Publications
Evidence of strong photoelectron–valence electron (PEVE) interactions has been observed
in the anion photoelectron (PE) spectra of several lanthanide suboxide clusters, which are …
in the anion photoelectron (PE) spectra of several lanthanide suboxide clusters, which are …
Photoelectron Spectra of Gd2O2– and Nonmonotonic Photon-Energy-Dependent Variations in Populations of Close-Lying Neutral States
Photoelectron spectra of Gd2O2–obtained with photon energies ranging from 2.033 to 3.495
eV exhibit numerous close-lying neutral states with photon-energy-dependent relative …
eV exhibit numerous close-lying neutral states with photon-energy-dependent relative …
[HTML][HTML] Low-lying electronic structure of EuH, EuOH, and EuO neutrals and anions determined by anion photoelectron spectroscopy and DFT calculations
The anion photoelectron (PE) spectra of EuH− and the PE spectrum of overlapping EuOH−
and EuO− anions are presented and analyzed with supporting results from density …
and EuO− anions are presented and analyzed with supporting results from density …