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Production of Metastable CO 3+ through the Strong-Field Ionization and Coulomb Explosion of Formic Acid Dimer.
- Source :
-
The journal of physical chemistry. A [J Phys Chem A] 2022 Aug 11; Vol. 126 (31), pp. 5099-5106. Date of Electronic Publication: 2022 Jul 19. - Publication Year :
- 2022
-
Abstract
- Femtosecond laser pulses are utilized to drive multiple ionization of formic acid dimers and the resulting 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 intensities of up to 3.7 × 10 <superscript>15</superscript> W/cm <superscript>2</superscript> produces a metastable carbon monoxide trication. Experimental kinetic energy release (KER) measurements of the ions are consistent with molecular dynamics simulations of the Coulomb explosion of a formic acid dimer and suggest that no significant movement occurs during ionization. KER values were recorded as high as 44 eV for CO <superscript>3+</superscript> , in agreement with results from a classical Molecular Dynamics simulation of fully ionized formic acid dimers. Potential energy curves for CO <superscript>3+</superscript> are calculated using the multireference configuration interaction (MRCI+Q) method to confirm the existence of an excited metastable <superscript>2</superscript> Σ state with a significant potential barrier with respect to dissociation. This combined experimental and theoretical effort reveals the existence of metastable CO <superscript>3+</superscript> through direct observation for the first time.
Details
- Language :
- English
- ISSN :
- 1520-5215
- Volume :
- 126
- Issue :
- 31
- Database :
- MEDLINE
- Journal :
- The journal of physical chemistry. A
- Publication Type :
- Academic Journal
- Accession number :
- 35853084
- Full Text :
- https://doi.org/10.1021/acs.jpca.2c02609