Experimental and computational investigation of the bond energy of thorium dicarbonyl cation and theoretical elucidation of its isomerization mechanism to the thermodynamically most stable isomer, thorium oxide ketenylidene cation, OTh+CCO-Reference-Cited by-同舟云学术

Experimental and computational investigation of the bond energy of thorium dicarbonyl cation and theoretical elucidation of its isomerization mechanism to the thermodynamically most stable isomer, thorium oxide ketenylidene cation, OTh+CCO

Published:2022 Issue:2 Volume:24 Page:842-853
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Kafle Arjun¹^ORCID,Armentrout P. B.¹^ORCID

Affiliation:

1. Department of Chemistry, University of Utah, 315 S 1400 E Rm 2020, Salt Lake City, UT 84112, USA

Abstract

The bond energy of (CO)Th+–CO is measured for the first time via collision-induced dissociation of thorium di-carbonyl cation, Th(CO)2+, with Xe using a guided ion beam tandem mass spectrometer and compares well with a CCSD(T)/CBS theoretical value.

Funder

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP04263G

Reference90 articles.

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