Infrared Multiple Photon Dissociation Spectroscopy of the H-H Stretching Mode and Low-Lying Electronic Transitions in Fe⁺(H₂)_1,2 and Fe⁺(D₂)_1,2.

ABSTRACT: Although iron is the most abundant transition metal in the interstellar medium, its interaction with hydrogen─by far the most abundant element─in small gas-phase molecules or complexes is poorly understood. Herein, we study the infrared spectroscopy of cationic iron complexes with one and two dihydrogen ligands, Fe⁺(H₂)_1,2, as well as their deuterated counterparts, Fe⁺(D₂)_1,2, using infrared multiple photon dissociation (IRMPD) spectroscopy. Quantum chemical calculations, including multireference configuration interaction (MRCI) with spin-orbit coupling, are used to simulate the electronic and vibrational contributions to the spectra. Broad electronic transitions are observed in the studied energy range of 2230-4000 cm^-

SUBMITTER: Jin S 

PROVIDER: S-EPMC12010328 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature