Interrogation of MoOyCnHn− chemifragments illuminates Mo−(η2−ACETYLENE) interactions within MoxOy− and ethylene reactions
Topolski, Josey E.
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https://hdl.handle.net/2142/100792
Description
Title
Interrogation of MoOyCnHn− chemifragments illuminates Mo−(η2−ACETYLENE) interactions within MoxOy− and ethylene reactions
Author(s)
Topolski, Josey E.
Contributor(s)
Chick Jarrold, Caroline
Raghavachari, Krishnan
Ray, Manisha
Schaugaard, Richard N
Issue Date
2018-06-19
Keyword(s)
Clusters/Complexes
Abstract
In an effort to determine the feasibility of producing hydrogen gas via H2O + C2H4 → H2 + CH3CHO, cluster reactivity studies were completed between MoxOy cluster anions and H2O, C2H4, and mixtures of both H2O and C2H4. These studies unveiled the evolution of several chemifragmentation products. To better understand the molecular-scale interactions along these chemifragmentation pathways, the photoelectron spectra and supporting theoretical calculations were analyzed for each cluster. In this talk, spectra and computational results for a series of monometallic chemifragment cluster anions formed from reactions with C2H4 will be presented. The analysis indicates that experimental spectra are most consistent with η 2−acetylene complexes, however vinylidene complexes cannot be definitively ruled out for all clusters. The results of this work deepen our understanding of the side reactions which occur in this multi-reactant system.
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