Joint photoelectron and theoretical study of (Rh(m)Co(n))⁻ (m=1-5, n=1-2) cluster anions and their neutral counterparts

Haopeng Wang; Yeon Jae Ko; Lius G García; Prasenjit Sen; Marcela R Beltrán; Kit H Bowen

doi:10.1039/c0cp01674h

Joint photoelectron and theoretical study of (Rh(m)Co(n))⁻ (m=1-5, n=1-2) cluster anions and their neutral counterparts

Phys Chem Chem Phys. 2011 May 7;13(17):7685-91. doi: 10.1039/c0cp01674h. Epub 2011 Mar 16.

Authors

Haopeng Wang¹, Yeon Jae Ko, Lius G García, Prasenjit Sen, Marcela R Beltrán, Kit H Bowen

Affiliation

¹ Department of Chemistry, Johns Hopkins University, Baltimore, MD 21218, USA.

PMID: 21412516
DOI: 10.1039/c0cp01674h

Abstract

Anion photoelectron spectroscopic experiments and calculations based on density functional theory have been used to investigate and uniquely identify the structural, electronic, and magnetic properties of both neutral and anionic (Rh(m)Co(n)) and (Rh(m)Co(n))(-) (m=1-5, n=1-2) clusters, respectively. Negative ion photoelectron spectra are presented for electron binding energies up to 3.493 eV. The calculated electron affinities and vertical detachment energies are in good agreement with the measured values. Computational results for geometric structures and magnetic moments of both cluster anions and their neutrals are presented.