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

TL;DR

This study demonstrates the production of CO3+ ions through strong-field ionization and Coulomb explosion of formic acid dimers using femtosecond laser pulses, supported by experimental measurements and theoretical calculations.

Contribution

It provides new insights into the formation and stability of CO3+ ions during the Coulomb explosion of formic acid dimers, combining experimental data with quantum chemical calculations.

Findings

CO3+ ions are produced via femtosecond laser-induced Coulomb explosion.

Kinetic energy release measurements align with molecular dynamics simulations.

Metastable states of CO3+ with large potential barriers are confirmed.

Abstract

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+.