Photoelectron Spectroscopy and Structures of X-...CH2O (X=F, Cl, Br, I) Complexes

Abstract

A combined experimental and theoretical approach has been used to investigate X⁻$\cdots$CH₂O (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⁻$\cdots$CH₂O, Br⁻$\cdots$CH₂O, and I⁻$\cdots$CH₂O species. Additionally, high-level CCSD(T) calculations found a C_2v minimum for these three anion complexes, with predicted electron detachment energies in excellent agreement with the experimental photoelectron spectra. F⁻$\cdots$CH₂O was also studied theoretically, with a C_s hydrogen-bonded complex found to be the global minimum. Calculations extended to neutral X$\cdots$CH₂O complexes, with the results of potential interest to atmospheric CH₂O chemistry.

Peter Watson

Forrest Fellow, Lecturer

A physical chemist interested in instrument design for novel chemical problems and the breadth of spectroscopic methods.