Production of CO3+ through the Strong-Field Ionization and Coulomb Explosion of Formic Acid Dimer

Autor: Sutton, Shaun F., Miller, Dane M., Quiroz, Lenin M., Sen, Ananya, Tarakeshwar, Pilarisetty, Sayres, Scott G.
Rok vydání: 2021
Předmět:
Druh dokumentu: Working Paper
DOI: 10.1021/acs.jpca.2c02609
Popis: Femtosecond laser pulses are utilized to drive multiple ionization in gas-phase formic acid dimers and ions are studied using time-of-flight mass spectrometry. The interaction of formic acid dimer with 200 fs linearly polarized laser pulses of 400 nm with intensi-ties up to 3.7x1015 W/cm2 produces a carbon monoxide trication. Experimental measurements of the kinetic energy release of the ions are consistent with our molecular dynamics simulations of the Coulomb explosion of a formic acid dimer and suggest that no movement occurs during ionization. KER values were recorded as high as 44 eV for CO3+. Potential energy curves for COn+, for n < 4, have been calculated using CCSD(T) and confirm the existence of metastable states with a large potential barrier with respect to dissociation. This combined experimental and theoretical effort shows the existence of sufficiently long-lived CO3+.
Comment: main text: 6 pages, 4 figures, SI: 10 pages 2 figures
Databáze: arXiv