Electronic structure of SmO and SmO− via slow photoelectron velocity-map imaging spectroscopy and spin-orbit CASPT2 calculations

Marissa L. Weichman; Bess Vlaisavljevich; Jessalyn A. DeVine; Nicholas S. Shuman; Shaun G. Ard; Toru Shiozaki; Daniel M. Neumark; Albert A. Viggiano

doi:10.1063/1.5008423

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Electronic structure of SmO and SmO− via slow photoelectron velocity-map imaging spectroscopy and spin-orbit CASPT2 calculations

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Electronic structure of SmO and SmO− via slow photoelectron velocity-map imaging spectroscopy and spin-orbit CASPT2 calculations

Marissa L. Weichman, Bess Vlaisavljevich, Jessalyn A. DeVine, Nicholas S. Shuman, Shaun G. Ard, Toru Shiozaki, Daniel M. Neumark and Albert A. Viggiano

The Journal of chemical physics, Vol.147(23), pp.234311-234311

12/21/2017

DOI: 10.1063/1.5008423

PMID: 29272943

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Abstract

The chemi-ionization reaction of atomic samarium, Sm + O → SmO+ + e −, has been investigated by the Air Force Research Laboratory as a means to modify local electron density in the ionosphere for reduction of scintillation of high-frequency radio waves. Neutral SmO is a likely unwanted byproduct. The spectroscopy of SmO is of great interest to aid in interpretation of optical emission spectra recorded following atmospheric releases of Sm as part of the Metal Oxide Space Cloud (MOSC) observations. Here, we report a joint experimental and theoretical study of SmO using slow photoelectron velocity-map imaging spectroscopy of cryogenically cooled SmO− anions (cryo-SEVI) and high-level spin-orbit complete active space calculations with corrections from second order perturbation theory (CASPT2). With cryo-SEVI, we measure the electron affinity of SmO to be 1.0581(11) eV and report electronic and vibrational structure of low-lying electronic states of SmO in good agreement with theory and prior experimental work. We also obtain spectra of higher-lying excited states of SmO for direct comparison to the MOSC results.

Details

Title: Subtitle: Electronic structure of SmO and SmO− via slow photoelectron velocity-map imaging spectroscopy and spin-orbit CASPT2 calculations
Creators: Marissa L. Weichman - University of California, Berkeley
Bess Vlaisavljevich - Northwestern University
Jessalyn A. DeVine - University of California, Berkeley
Nicholas S. Shuman - Kirtland Air Force Base
Shaun G. Ard - Kirtland Air Force Base
Toru Shiozaki - Northwestern University
Daniel M. Neumark - University of California, Berkeley
Albert A. Viggiano - Kirtland Air Force Base
Resource Type: Journal article
Publication Details: The Journal of chemical physics, Vol.147(23), pp.234311-234311
DOI: 10.1063/1.5008423
PMID: 29272943
NLM abbreviation: J Chem Phys
ISSN: 0021-9606
eISSN: 1089-7690
Number of pages: 8
Grant note: AFOSR-16RVCOR276; FA9550-15-1-0031; FA9550-16-1-0097 / DOD | USAF | AFMC | Air Force Office of Scientific Research (http://dx.doi.org/10.13039/100000181)
Date published: 12/21/2017
Academic Unit: Chemistry
Record Identifier: 9984618520302771

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