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

A combined experimental and theoretical approach has been used to investigate X-...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-...CH2O, Br-...CH2O, and I-...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-...CH2O was also studied theoretically, with a C-s hydrogen-bonded complex found to be the global minimum. Calculations extended to neutral X...CH2O complexes, with the results of potential interest to atmospheric CH2O chemistry.

Automated summary

A combined experimental and theoretical approach was used to study X-...CH2O (X=F, Cl, Br, I) complexes in the gas phase, with electron binding energies determined for Cl-...CH2O, Br-...CH2O, and I-...CH2O species. High-level CCSD(T) calculations revealed C-2v minimum configurations for the anion complexes, while a C-s hydrogen-bonded complex was found to be the global minimum for F-...CH2O. The study also extended to neutral X...CH2O complexes, with potential implications for atmospheric CH2O chemistry.