Formation of stable HCl+ following resonant Auger decay in CH3Cl

• Photoinduced reformation of chemical bonds is investigated in the CH3Cl molecule experimentally and computationally. The observation of stable HCl+ fragment formation after resonant Cl 2p photoexcitation is confirmed by an electron-ion coincidence experiment, and its possible creation mechanism is reported. We attribute the formation of HCl+ to specific final states populated by the resonant Auger decay. Quantum chemical computations support this attribution and suggest that in at least one of those states the system is placed on a potential energy surface which favors creation of HCl+ by moving one hydrogen atom to a closer proximity of the chlorine atom. This work demonstrates the effect of targeted core-shell excitation on the chemical bond breaking and reformation process, often called photoinduced chemistry.

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NATURVETENSKAP  -- Kemi -- Teoretisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)

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