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Published on: July 27, 2018
Photoelectron Spectroscopy and Structures of X- ⋅⋅⋅CH2 O (X=F, Cl, Br, I) Complexes
Timothy R Corkish1, Christian T Haakansson1, Peter D Watson1
1School of Molecular Sciences, The University of Western Australia, Crawley, Western Australia, 6009, Australia.
Abstract:
A combined experimental and theoretical approach has been used to investigate X- ⋅⋅⋅CH2 O (X=F, Cl, Br, I) complexes in the gas phase. Photoelectron spectroscopy, in tandem with time-of-flight mass spectrometry, has been used to determine electron binding energies for the Cl- ⋅⋅⋅CH2 O, Br- ⋅⋅⋅CH2 O, and I- ⋅⋅⋅CH2 O species. Additionally, high-level CCSD(T) calculations found a C2v minimum for these three anion complexes, with predicted electron detachment energies in excellent agreement with the experimental photoelectron spectra. F- ⋅⋅⋅CH2 O was also studied theoretically, with a Cs hydrogen-bonded complex found to be the global minimum. Calculations extended to neutral X⋅⋅⋅CH2 O complexes, with the results of potential interest to atmospheric CH2 O chemistry.
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