Unexpected and delayed fragmentation dynamics of the organometallic ferrocene induced by ion-collision

Fernando Aguilar-Galindo (1) , Vy Thi Thao Nguyen (2, 3) , Raj Singh (2, 3) , Alicja Domaracka (2, 3) , Bernd Huber (2, 3) , Sergio Díaz-Tendero (1) , Patrick Rousseau (2, 3) , Sylvain Maclot (4)

1 UAM - Universidad Autónoma de Madrid
2 CIMAP - UMR 6252 - Centre de recherche sur les Ions, les MAtériaux et la Photonique
3 AMA - Atomes, Molécules et Agrégats
4 iLM - SPECTROBIO - iLM - Spectrométrie des biomolécules et agrégats

We have investigated the fragmentation dynamics of the organometallic ferrocene molecule after interaction with multiply charged ions using multicoincidence mass spectrometry and quantum chemistry calculations. We observed unexpected fragmentation dynamics of the two-body breakup channels from ferrocene dications revealing a charge screening effect from the iron atom and delayed fragmentation dynamics. These observations are rationalized through the population of a specific long-lived excited state, where one positive charge is located on each cyclopentadienyl ring.

Domaines: Chimie-Physique [physics.chem-ph]; Chimie de coordination

Fernando Aguilar-Galindo, Vy Thi Thao Nguyen, Raj Singh, Alicja Domaracka, Bernd Huber, et al.. Unexpected and delayed fragmentation dynamics of the organometallic ferrocene induced by ion-collision. Physical Chemistry Chemical Physics, inPress, ⟨10.1039/D3CP05430F⟩. ⟨hal-04445499⟩